AG00BCT1

24202-74-2 | 4-(Methoxycarbonyl)nicotinic acid

AG00BCT1

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CAS Number	24202-74-2
Catalog Number	AG00BCT1(AGN-PC-0JM5I3)
Chemical Name	4-(Methoxycarbonyl)nicotinic acid
IUPAC Name	4-methoxycarbonylpyridine-3-carboxylic acid
InChI	InChI=1S/C8H7NO4/c1-13-8(12)5-2-3-9-4-6(5)7(10)11/h2-4H,1H3,(H,10,11)
InChI Key	QLOYEIURVSRKOV-UHFFFAOYSA-N
MDL Number	MFCD00111513
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
NSC Number	302958
SMILES	C(=O)(OC)c1c(C(=O)O)cncc1
Synonyms	4-(Methoxycarbonyl)nicotinic acid, 24202-74-2, 4-(methoxycarbonyl)pyridine-3-carboxylic acid, 4-methoxycarbonylnicotinic acid, 4-methoxycarbonylpyridine-3-carboxylic acid, 3,4-Pyridinedicarboxylicacid, 4-methyl ester, NSC302958, 4-(METHOXYCARBONYL)NICOTINICACID, Maybridge1_001692, methoxycarbonylnicotinicacid, 4-carbomethoxynicotinic acid, AC1L70OW, Oprea1_822907, SCHEMBL2120360, CTK4F3102, HMS546E20, ZINC93303, DTXSID70316387, QLOYEIURVSRKOV-UHFFFAOYSA-N, KS-000019SG, ANW-55975, CCG-40881, MFCD00111513, SBB053821, AKOS005071429, MCULE-8310141411, NSC-302958, RP10902, RP24216, AJ-10924, SC-34248, DB-011243, TR-011191, FT-0678640, ST24043104, TL80090706, Z2891, 4-(methoxycarbonyl)nicotinic acid, AldrichCPR, 3,4-Pyridine dicarboxylic acid 4-methyl ester, 8L-924, A23286, pyridine-3,4-dicarboxylic acid 4-methyl ester, 4-[(Methyloxy)carbonyl]-3-pyridinecarboxylic acid, I02-1747, J-015395, J-513762, SR-01000630990-1, Z1416200981, 3,4-Pyridine dicarboxylic acid 4-methyl ester;Cinchomeronic acid 4-methyl ester, C8H7NO4, CID327525, C-1132, 4-(Methoxycarbonyl)nicotinic acid, 97% - 1G 1g,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	76.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

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