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Home > Nitro Compounds > 205680-83-7
205680-83-7 | Benzoic acid, 3-(1-formyl-2-oxoethyl)-2-nitro-
CAS No: 205680-83-7 Catalog No: AG002A9S MDL No:MFCD00216502
Product Description
Catalog Number:
AG002A9S
Chemical Name:
Benzoic acid, 3-(1-formyl-2-oxoethyl)-2-nitro-
CAS Number:
205680-83-7
Molecular Formula:
C10H7NO6
Molecular Weight:
237.1657
MDL Number:
MFCD00216502
IUPAC Name:
3-(1,3-dioxopropan-2-yl)-2-nitrobenzoic acid
InChI:
InChI=1S/C10H7NO6/c12-4-6(5-13)7-2-1-3-8(10(14)15)9(7)11(16)17/h1-6H,(H,14,15)
InChI Key:
WHFZKCYOFGVOLR-UHFFFAOYSA-N
SMILES:
O=CC(c1cccc(c1[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
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