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13041-62-8 | 1-Naphthalenecarboxylic acid, 4-methoxy-
CAS No: 13041-62-8 Catalog No: AG000UEK MDL No:MFCD02575372
Product Description
Catalog Number:
AG000UEK
Chemical Name:
1-Naphthalenecarboxylic acid, 4-methoxy-
CAS Number:
13041-62-8
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
MDL Number:
MFCD02575372
IUPAC Name:
4-methoxynaphthalene-1-carboxylic acid
InChI:
InChI=1S/C12H10O3/c1-15-11-7-6-10(12(13)14)8-4-2-3-5-9(8)11/h2-7H,1H3,(H,13,14)
InChI Key:
WRQHSQDGYYDRMX-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1cccc2)C(=O)O
Properties
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:
3.1
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