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16059-75-9 | 2-Naphthalenecarboxylic acid, 4-hydroxy-8-Methoxy-
CAS No: 16059-75-9 Catalog No: AG001S27 MDL No:
Product Description
Catalog Number:
AG001S27
Chemical Name:
2-Naphthalenecarboxylic acid, 4-hydroxy-8-Methoxy-
CAS Number:
16059-75-9
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
IUPAC Name:
4-hydroxy-8-methoxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C12H10O4/c1-16-11-4-2-3-8-9(11)5-7(12(14)15)6-10(8)13/h2-6,13H,1H3,(H,14,15)
InChI Key:
XWBRXUQOEQJGTJ-UHFFFAOYSA-N
SMILES:
COc1cccc2c1cc(cc2O)C(=O)O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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