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Home > Nitro Compounds > 148625-35-8
148625-35-8 | Benzoic acid, 3-formyl-4-nitro-, methyl ester
CAS No: 148625-35-8 Catalog No: AG001L3H MDL No:MFCD05664271
Product Description
Catalog Number:
AG001L3H
Chemical Name:
Benzoic acid, 3-formyl-4-nitro-, methyl ester
CAS Number:
148625-35-8
Molecular Formula:
C9H7NO5
Molecular Weight:
209.1556
MDL Number:
MFCD05664271
IUPAC Name:
methyl 3-formyl-4-nitrobenzoate
InChI:
InChI=1S/C9H7NO5/c1-15-9(12)6-2-3-8(10(13)14)7(4-6)5-11/h2-5H,1H3
InChI Key:
JHFSCEMUDKRPID-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C=O)[N+](=O)[O-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.157g/mol
Monoisotopic Mass:
209.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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