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16035-97-5 | 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-8-methoxy-4-oxo-
CAS No: 16035-97-5 Catalog No: AG001RVO MDL No:
Product Description
Catalog Number:
AG001RVO
Chemical Name:
2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-8-methoxy-4-oxo-
CAS Number:
16035-97-5
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
IUPAC Name:
8-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid
InChI:
InChI=1S/C12H12O4/c1-16-11-4-2-3-8-9(11)5-7(12(14)15)6-10(8)13/h2-4,7H,5-6H2,1H3,(H,14,15)
InChI Key:
LSQIHMSZPPGOBE-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CC(CC2=O)C(=O)O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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