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7163-25-9 | 2-Naphthalenecarboxylic acid, 3-hydroxy-, ethyl ester
CAS No: 7163-25-9 Catalog No: AG005G9A MDL No:MFCD00220608
Product Description
Catalog Number:
AG005G9A
Chemical Name:
2-Naphthalenecarboxylic acid, 3-hydroxy-, ethyl ester
CAS Number:
7163-25-9
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
MDL Number:
MFCD00220608
IUPAC Name:
ethyl 3-hydroxynaphthalene-2-carboxylate
InChI:
InChI=1S/C13H12O3/c1-2-16-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h3-8,14H,2H2,1H3
InChI Key:
CVEOWBRXZJEZRQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2ccccc2cc1O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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