1.0 2016-09-30 23:26:13 UTC 2020-04-22 15:18:39 UTC BMDB0006804 BMDB06804 Propynoic acid 2-Propynoic acid Acetylenecarboxylic acid Acetylenic acid Carboxyacetylene HC#ccooh Propargylic acid Propinic acid Propinsaeure Propiolic acid Propiolsaeure Acetylenemonocarboxylate 2-Propynoate Acetylenecarboxylate Acetylenate Propargylate Propinate Propiolate Acetylenemonocarboxylic acid Propynoate Propiolic acid, monosodium salt C3H2O2 70.0468 70.005479308 prop-2-ynoic acid propiolic acid 471-25-0 OC(=O)C#C InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5) UORVCLMRJXCDCP-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acids Carboxylic acids Acetylides Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Acetylide Aliphatic acyclic compound Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds acetylenic fatty acid monounsaturated fatty acid short-chain fatty acid terminal acetylenic compound Solid logp 0.03 ALOGPS logs -1.72 ALOGPS logp 0.18 ChemAxon pka_strongest_acidic 1.99 ChemAxon iupac prop-2-ynoic acid ChemAxon average_mass 70.0468 ChemAxon mono_mass 70.005479308 ChemAxon smiles OC(=O)C#C ChemAxon formula C3H2O2 ChemAxon inchi InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5) ChemAxon inchikey UORVCLMRJXCDCP-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 15.78 ChemAxon polarizability 5.8 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 17787 Specdb::CMs 39095 Specdb::CMs 133500 Specdb::CMs 141234 Specdb::MsIr 2425 Specdb::MsIr 2426 Specdb::MsIr 2427 Specdb::NmrOneD 91592 Specdb::NmrOneD 91593 Specdb::NmrOneD 91594 Specdb::NmrOneD 91595 Specdb::NmrOneD 91596 Specdb::NmrOneD 91597 Specdb::NmrOneD 91598 Specdb::NmrOneD 91599 Specdb::NmrOneD 91600 Specdb::NmrOneD 91601 Specdb::NmrOneD 91602 Specdb::NmrOneD 91603 Specdb::NmrOneD 91604 Specdb::NmrOneD 91605 Specdb::NmrOneD 91606 Specdb::NmrOneD 91607 Specdb::NmrOneD 91608 Specdb::NmrOneD 91609 Specdb::NmrOneD 91610 Specdb::NmrOneD 91611 Specdb::MsMs 305383 Specdb::MsMs 305384 Specdb::MsMs 305385 Specdb::MsMs 348784 Specdb::MsMs 348785 Specdb::MsMs 348786 Specdb::MsMs 438284 Specdb::MsMs 2358285 Specdb::MsMs 2358286 Specdb::MsMs 2358287 Specdb::MsMs 2604659 Specdb::MsMs 2604660 Specdb::MsMs 2604661 FDB024090 9706 C00804 10110 33199 Propiolic acid