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13772-63-9

13772-63-9 | 1-Naphthalenecarboxylic acid, 3-nitro-, methyl ester

CAS No: 13772-63-9 Catalog No: AG0013RF MDL No:MFCD00085480

Product Description

Catalog Number:
AG0013RF
Chemical Name:
1-Naphthalenecarboxylic acid, 3-nitro-, methyl ester
CAS Number:
13772-63-9
Molecular Formula:
C12H9NO4
Molecular Weight:
231.2042
MDL Number:
MFCD00085480
IUPAC Name:
methyl 3-nitronaphthalene-1-carboxylate
InChI:
InChI=1S/C12H9NO4/c1-17-12(14)11-7-9(13(15)16)6-8-4-2-3-5-10(8)11/h2-7H,1H3
InChI Key:
QFUDSCNJHFVWIB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc2c1cccc2)[N+](=O)[O-]
NSC Number:
92791

Properties

Complexity:
312  
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:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.207g/mol
Monoisotopic Mass:
231.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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