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23204-42-4 | 2-Naphthalenecarboxylic acid, 6-hydroxy-5,7-dimethoxy-
CAS No: 23204-42-4 Catalog No: AG002MIQ MDL No:
Product Description
Catalog Number:
AG002MIQ
Chemical Name:
2-Naphthalenecarboxylic acid, 6-hydroxy-5,7-dimethoxy-
CAS Number:
23204-42-4
Molecular Formula:
C13H12O5
Molecular Weight:
248.2314
IUPAC Name:
6-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C13H12O5/c1-17-10-6-8-5-7(13(15)16)3-4-9(8)12(18-2)11(10)14/h3-6,14H,1-2H3,(H,15,16)
InChI Key:
VVDSTIJVPBCANN-UHFFFAOYSA-N
SMILES:
COc1cc2cc(ccc2c(c1O)OC)C(=O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.234g/mol
Monoisotopic Mass:
248.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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