1-Naphthalenecarboxylic acid, 3-nitro-, methyl ester


Chemical Name: 1-Naphthalenecarboxylic acid, 3-nitro-, methyl ester
CAS Number: 13772-63-9
Product Number: AG0013RF(AGN-PC-0JNWBJ)
Synonyms:
MDL No:
Molecular Formula: C12H9NO4
Molecular Weight: 231.2042

Identification/Properties


Computed Properties
Molecular Weight:
231.207g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
231.053g/mol
Monoisotopic Mass:
231.053g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
312
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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