AG003NNV

142-45-0 | but-2-ynedioic acid

AG003NNV

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CAS Number	142-45-0
Catalog Number	AG003NNV(AGN-PC-014QXA)
Chemical Name	but-2-ynedioic acid
IUPAC Name	but-2-ynedioic acid
InChI	InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
InChI Key	YTIVTFGABIZHHX-UHFFFAOYSA-N
MDL Number	MFCD00004362
Molecular Formula	C4H2O4
Molecular Weight	114.0563
SMILES	O=C(C#CC(O)=O)O
UNII	2D2OJ4KO44
Synonyms	2-butynedioic acid, 2-butynedioic acid, potassium salt, acetylenedicarboxylic acid, acetylenedicarboxylic acid, 2-butynedioic acid, 142-45-0, but-2-ynedioic acid, Butynedioic acid, acetylenedicarboxylate, UNII-2D2OJ4KO44, 2D2OJ4KO44, CHEBI:30781, Acetylenedicarboxylic acid (8CI), YTIVTFGABIZHHX-UHFFFAOYSA-N, MFCD00004362, NSC631597, Acetylenedicarboxylic acid, 98%, 928-04-1, NSC 1903, Acetylendicarboxylate, EINECS 205-536-0, HOOCC=CCOOH, Acetylenedicarboxylicacid, PubChem13735, ACMC-209cog, AC1Q5REA, acetylene dicarboxylic acid, bmse000416, SCHEMBL4200, KSC176G4L, Jsp002499, CHEMBL1874364, DTXSID3059715, Acetylenedicarboxylic acid, 95%, CTK0H6345, KS-00000WRV, NSC1903, ZINC901687, AC1L1937, NSC-1903, ANW-20702, BBL011589, SBB059645, STL163325, AKOS005716724, LS40108, MCULE-3952041688, NSC-631597, RP19117, RTR-005441, TRA0074629, AK306916, AN-43915, BP-21137, SC-18919, DB-020755, TR-005441, A0088, FT-0611641, ST51044566, C03248, 142A450, I04-0156, I14-2039, J-007655, J-519538, F0001-0497, InChI=1/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8, Potassium hydrogen butynedioate, C4H2O4.K, CID371, C4-H2-O4.K, NSC 631597, C4-H2-O4, 2,6-Dichloro-4-methylmandelic acid, EINECS 213-169-2, AR-1D9889, 2-Butynedioic acid, monopotassium salt, 2-Butynedioic acid, potassium salt (1:1), Acetylenedicarboxylic acid, monopotassium salt, EC 213-169-2, Monopotassium salt of acetylenedicarboxylic acid, U-4783, Acetylenedicarboxylic acid, 98% - 100G 100g, 98666-22-9,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	113.995g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	114.056g/mol
Monoisotopic Mass	113.995g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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