AG00IJID

95901-05-6 | 2-Naphthalenecarboxylic acid, 7-hydroxy-, methyl ester

AG00IJID

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CAS Number	95901-05-6
Catalog Number	AG00IJID(AGN-PC-0MYFW1)
Chemical Name	2-Naphthalenecarboxylic acid, 7-hydroxy-, methyl ester
IUPAC Name	methyl 7-hydroxynaphthalene-2-carboxylate
InChI	InChI=1S/C12H10O3/c1-15-12(14)9-3-2-8-4-5-11(13)7-10(8)6-9/h2-7,13H,1H3
InChI Key	NRAOMQRRELNKIQ-UHFFFAOYSA-N
MDL Number	MFCD11226994
Molecular Formula	C12H10O3
Molecular Weight	202.2060
SMILES	O=C(OC)C1=CC=C2C=CC(O)=CC2=C1
Synonyms	METHYL 7-HYDROXY-2-NAPHTHOATE, 95901-05-6, 2-Naphthalenecarboxylic acid, 7-hydroxy-, methyl ester, AK151546, Methyl 7-hydroxynaphthalene-2-carboxylate, ACMC-20m0dn, 7-NAPHTHOL-2-CARBOXYLIC ACID METHYL ESTER, SCHEMBL1777541, CTK3F3198, DTXSID60435293, NRAOMQRRELNKIQ-UHFFFAOYSA-N, KS-00000SB7, MFCD11226994, ZINC34180539, AKOS024259301, CM10626, DS-9609, MB09816, METHYL 7-NAPHTHOL-2-CARBOXYLATE, AJ-87336, methyl 7-hydroxy-2-naphthalenecarboxylate, AX8288141, FT-0712813, 7-Hydroxy-2-naphthalenecarboxylic acid methyl ester, 7-Hydroxynaphthalene-2-carboxylic acid methyl ester, CID10081555,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.063g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.209g/mol
Monoisotopic Mass	202.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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