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144481-23-2 | 2-Naphthalenecarboxylic acid, 3-hydroxy-4-nitroso-, methyl ester
CAS No: 144481-23-2 Catalog No: AG001JLM MDL No:
Product Description
Catalog Number:
AG001JLM
Chemical Name:
2-Naphthalenecarboxylic acid, 3-hydroxy-4-nitroso-, methyl ester
CAS Number:
144481-23-2
Molecular Formula:
C12H9NO4
Molecular Weight:
231.2042
IUPAC Name:
methyl 3-hydroxy-4-nitrosonaphthalene-2-carboxylate
InChI:
InChI=1S/C12H9NO4/c1-17-12(15)9-6-7-4-2-3-5-8(7)10(13-16)11(9)14/h2-6,14H,1H3
InChI Key:
FQXSOMJROOSMJJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2ccccc2c(c1O)N=O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.207g/mol
Monoisotopic Mass:
231.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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