AG003P2Q

531-81-7 | 2-Oxo-2H-chromene-3-carboxylic acid

AG003P2Q

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CAS Number	531-81-7
Catalog Number	AG003P2Q(AGN-PC-0JK9OQ)
Chemical Name	2-Oxo-2H-chromene-3-carboxylic acid
EC Number	208-518-0
IUPAC Name	2-oxochromene-3-carboxylic acid
InChI	InChI=1S/C10H6O4/c11-9(12)7-5-6-3-1-2-4-8(6)14-10(7)13/h1-5H,(H,11,12)
InChI Key	ACMLKANOGIVEPB-UHFFFAOYSA-N
MDL Number	MFCD00006852
Molecular Formula	C10H6O4
Molecular Weight	190.1522
SMILES	O=C1OC2=C(C=CC=C2)C=C1C(O)=O
UNII	V85UOV8788
Synonyms	coumarin-3-carboxylate, coumarin-3-carboxylic acid, potassium coumarin-3-carboxylic acid, sodium coumarin-3-carboxylic acid, Coumarin-3-carboxylic acid, 531-81-7, 2-Oxo-2H-chromene-3-carboxylic acid, 3-Carboxycoumarin, 2-Oxochromene-3-carboxylic acid, 2-Oxobenzopyran-3-carboxylic acid, G 1 (rodenticide), 2-Oxo-2H-1-benzopyran-3-carboxylic acid, 2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO-, MFCD00006852, UNII-V85UOV8788, G 1 (The rodenticide) (VAN), G 1 (VAN), EINECS 208-518-0, NSC 14797, NSC 53239, BRN 0154276, CHEMBL83294, Malonic acid, salicylidene-, delta-lactone, AI3-36066, ACMLKANOGIVEPB-UHFFFAOYSA-N, V85UOV8788, NSC53239, G 1 (The rodenticide), WLN: T66 BOVJ DVQ, Malonic acid, .delta.-lactone, Coumarin-3-carboxylic acid, 98%, G 1, 3-carboxy-coumarin, 3-carboxy coumarine, ACMC-20aldi, PubChem11094, AC1L1VVE, coumarin-3-carboxylic-acid, AC1Q73UV, Oprea1_710975, SCHEMBL93571, CBDivE_014214, MLS000100456, IFLab1_000764, COUMARIN-3-CARBOXYLICACID, CTK1D6926, KS-00000FYD, ZINC67688, DTXSID70201183, Coumarin-3-carboxylic acid, 99%, HMS1414C16, HMS2250I22, NSC14797, NSC44926, 5046AE, BBL005487, BDBM50131066, CCG-42658, NSC-14797, NSC-44926, NSC-53239, SBB015268, STK298836, AKOS000104806, MCULE-6770545200, NE19815, RTR-050564, 2-Oxo-2H-chromene-3-carboxylic acid #, AK324565, AN-45627, BP-11788, LS-39224, NCI60_001013, NCI60_004309, SMR000015715, SY049808, DB-052267, TR-050564, BB 0217624, FT-0624080, ST45161652, AZ0001-0134, Benzopyran-3-carboxylic acid, 2H-1-, 2-oxo, Malonic acid, salicylidene-, .delta.-lactone, MFCD00006852 (97%), AE-641/00583032, SR-01000389273, I04-9979, SR-01000389273-1, SR-01000389273-3, Z56824632, F0266-1412, Coumarinic acid, D0H3NS, C10H6O4, CID10752, C10-H6-O4, C3129, 5-18-08-00323 (Beilstein Handbook Reference), Coumarin-3-carboxylic acid, 99% - 100G 100g, 495-79-4,

Complexity	305
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.027g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.154g/mol
Monoisotopic Mass	190.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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