200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 205985-96-2
205985-96-2 | Benzoic acid, 4-(1-formyl-2-oxoethyl)-3-nitro-
CAS No: 205985-96-2 Catalog No: AG002AFW MDL No:MFCD00216499
Product Description
Catalog Number:
AG002AFW
Chemical Name:
Benzoic acid, 4-(1-formyl-2-oxoethyl)-3-nitro-
CAS Number:
205985-96-2
Molecular Formula:
C10H7NO6
Molecular Weight:
237.1657
MDL Number:
MFCD00216499
IUPAC Name:
4-(1,3-dioxopropan-2-yl)-3-nitrobenzoic acid
InChI:
InChI=1S/C10H7NO6/c12-4-7(5-13)8-2-1-6(10(14)15)3-9(8)11(16)17/h1-5,7H,(H,14,15)
InChI Key:
VFPWGRRTVZRIRQ-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(cc1[N+](=O)[O-])C(=O)O)C=O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.027g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.167g/mol
Monoisotopic Mass:
237.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.