1.0 2020-05-05 15:49:32 UTC 2020-05-05 18:39:02 UTC BMDB0109668 Indan-1-ol 1-Hydroxyhydrindene 1-Indanol 1-Indanol, (R)-isomer 1-Indanol, (S)-isomer 1-Indanol, (+-)-isomer C9H10O 134.1751 134.073164942 2,3-dihydro-1H-inden-1-ol indanol 6351-10-6 OC1CCC2=CC=CC=C12 InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2 YIAPLDFPUUJILH-UHFFFAOYSA-N belongs to the class of organic compounds known as indanes. Indanes are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring. Organic compounds Benzenoids Indanes Indanes Hydrocarbon derivatives Secondary alcohols Alcohol Aromatic homopolycyclic compound Hydrocarbon derivative Indane Organic oxygen compound Organooxygen compound Secondary alcohol Aromatic homopolycyclic compounds a small molecule alcohol logp 1.59 ALOGPS logs -1.22 ALOGPS logp 1.75 ChemAxon pka_strongest_acidic 14.48 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2,3-dihydro-1H-inden-1-ol ChemAxon average_mass 134.1751 ChemAxon mono_mass 134.073164942 ChemAxon smiles OC1CCC2=CC=CC=C12 ChemAxon formula C9H10O ChemAxon inchi InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2 ChemAxon inchikey YIAPLDFPUUJILH-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 40.45 ChemAxon polarizability 14.98 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 9499 Specdb::MsIr 9500 Specdb::CMs 35678 Specdb::CMs 47810 Specdb::CMs 131319 Specdb::CMs 139053 Specdb::MsMs 905530 Specdb::MsMs 905531 Specdb::MsMs 905532 Specdb::MsMs 951523 Specdb::MsMs 951524 Specdb::MsMs 951525 Specdb::MsMs 2354359 Specdb::MsMs 2354360 Specdb::MsMs 2354361 Specdb::MsMs 2607309 Specdb::MsMs 2607310 Specdb::MsMs 2607311 Specdb::NmrOneD 51362 Specdb::NmrOneD 51363 Specdb::NmrOneD 51364 Specdb::NmrOneD 51365 Specdb::NmrOneD 51366 Specdb::NmrOneD 51367 Specdb::NmrOneD 51368 Specdb::NmrOneD 51369 Specdb::NmrOneD 51370 Specdb::NmrOneD 51371 Specdb::NmrOneD 51372 Specdb::NmrOneD 51373 Specdb::NmrOneD 51374 Specdb::NmrOneD 51375 Specdb::NmrOneD 51376 Specdb::NmrOneD 51377 Specdb::NmrOneD 51378 Specdb::NmrOneD 51379 Specdb::NmrOneD 51380 Specdb::NmrOneD 51381 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 C01710 22819 16697