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828932-94-1 | 2-Naphthalenecarboxylic acid, 4-hydroxy-5,6,8-trimethoxy-, methyl ester
CAS No: 828932-94-1 Catalog No: AG004VT9 MDL No:
Product Description
Catalog Number:
AG004VT9
Chemical Name:
2-Naphthalenecarboxylic acid, 4-hydroxy-5,6,8-trimethoxy-, methyl ester
CAS Number:
828932-94-1
Molecular Formula:
C15H16O6
Molecular Weight:
292.2839
IUPAC Name:
methyl 4-hydroxy-5,6,8-trimethoxynaphthalene-2-carboxylate
InChI:
InChI=1S/C15H16O6/c1-18-11-7-12(19-2)14(20-3)13-9(11)5-8(6-10(13)16)15(17)21-4/h5-7,16H,1-4H3
InChI Key:
IZSXXHXGMAHJPH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c2c(c1)c(OC)cc(c2OC)OC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.095g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.287g/mol
Monoisotopic Mass:
292.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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