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13041-63-9 | 1-Naphthalenecarboxylic acid, 4-hydroxy-, methyl ester
CAS No: 13041-63-9 Catalog No: AG000UEJ MDL No:MFCD06203860
Product Description
Catalog Number:
AG000UEJ
Chemical Name:
1-Naphthalenecarboxylic acid, 4-hydroxy-, methyl ester
CAS Number:
13041-63-9
Molecular Formula:
C12H10O3
Molecular Weight:
202.2060
MDL Number:
MFCD06203860
IUPAC Name:
methyl 4-hydroxynaphthalene-1-carboxylate
InChI:
InChI=1S/C12H10O3/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,13H,1H3
InChI Key:
IVAXJJJTBDVHEA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1cccc2)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:
3.2
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