AG001OPN

156390-35-1 | 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-, methyl ester

AG001OPN

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CAS Number	156390-35-1
Catalog Number	AG001OPN(AGN-PC-0MY1XV)
Chemical Name	1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-, methyl ester
IUPAC Name	methyl 4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate
InChI	InChI=1S/C12H12O3/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-5,10H,6-7H2,1H3
InChI Key	FJXPXNBKKZUONN-UHFFFAOYSA-N
MDL Number	MFCD11046741
Molecular Formula	C12H12O3
Molecular Weight	204.2219
SMILES	O=C(C1CCC(C2=C1C=CC=C2)=O)OC
Synonyms	Methyl 4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylate, 156390-35-1, SCHEMBL6392161, Methyl 4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate, DTXSID30434879, FJXPXNBKKZUONN-UHFFFAOYSA-N, KS-00000R1A, MFCD11046741, DS-5656, AK119568, 4-Oxotetralin-1-carboxylic acid methyl ester, ST24047939, Z3255, 1-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-4-oxo-, methyl ester, 4-oxo-1,2,3,4-tetrahydro-naphthalene-1-carboxylic acid methyl ester, C12H12O3, CID10058724, Methyl4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylate,

Complexity	272
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.079g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.225g/mol
Monoisotopic Mass	204.079g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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