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144464-66-4 | 2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-5-oxo-, methyl ester
CAS No: 144464-66-4 Catalog No: AG001JLA MDL No:MFCD16037872
Product Description
Catalog Number:
AG001JLA
Chemical Name:
2-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-5-oxo-, methyl ester
CAS Number:
144464-66-4
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD16037872
IUPAC Name:
methyl 5-oxo-7,8-dihydro-6H-naphthalene-2-carboxylate
InChI:
InChI=1S/C12H12O3/c1-15-12(14)9-5-6-10-8(7-9)3-2-4-11(10)13/h5-7H,2-4H2,1H3
InChI Key:
QMICDTYERUBTNO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)CCCC2=O
Properties
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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