AG00GA08

7568-08-3 | 2,6-naphthalenedicarboxylic acid, monomethyl ester

AG00GA08

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CAS Number	7568-08-3
Catalog Number	AG00GA08(AGN-PC-0L2GQ2)
Chemical Name	2,6-naphthalenedicarboxylic acid, monomethyl ester
IUPAC Name	6-methoxycarbonylnaphthalene-2-carboxylic acid
InChI	InChI=1S/C13H10O4/c1-17-13(16)11-5-3-8-6-10(12(14)15)4-2-9(8)7-11/h2-7H,1H3,(H,14,15)
InChI Key	SKTKMAWOMQFTNS-UHFFFAOYSA-N
MDL Number	MFCD00805122
Molecular Formula	C13H10O4
Molecular Weight	230.2161
SMILES	C(=O)(OC)c1cc2c(cc1)cc(cc2)C(=O)O
UNII	8LLD8609LZ
Synonyms	6-(Methoxycarbonyl)-2-naphthoic acid, 7568-08-3, UNII-8LLD8609LZ, 8LLD8609LZ, 6-(methoxycarbonyl)naphthalene-2-carboxylic acid, 2,6-Naphthalenedicarboxylic acid, monomethyl ester, ChemDiv2_000140, SR-01000391091, AC1MP680, SCHEMBL2000825, CTK8C1787, Delta-4-Androstene-3,20-Dione, DTXSID30391953, SKTKMAWOMQFTNS-UHFFFAOYSA-N, HMS1369G08, ZINC2025675, 1756AC, ANW-67239, MFCD00805122, AKOS001482406, CCG-103341, MCULE-9306949535, monomethyl 2,6-naphthalenedicarboxylate, Monomethyl naphthalene-2,6-dicarboxylate, NCGC00326070-01, AJ-32832, Methyl 6-carboxy-2-naphthalenecarboxylate, AX8238018, DB-075007, TC-155984, EU-0033640, FT-0702122, 6-methoxycarbonylnaphthalene-2-carboxylic acid, W-4037, 6-(methoxycarbonyl)-2-naphthalenecarboxylic acid, AB01322181-02, 2,6-Naphthalenedicarboxylic acid, 2-methyl ester, naphthalene-2,6-dicarboxylic acid monomethyl ester, SR-01000391091-1, C13H10O4, 6-(Methoxycarbonyl)-2-naphthoicacid, CID3380217, 16382-39-1,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.058g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.219g/mol
Monoisotopic Mass	230.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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