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Home > Nitro Compounds > 21021-53-4
21021-53-4 | Butanedioic acid, 2-(4-nitrophenyl)-
CAS No: 21021-53-4 Catalog No: AG002KND MDL No:MFCD00024766
Product Description
Catalog Number:
AG002KND
Chemical Name:
Butanedioic acid, 2-(4-nitrophenyl)-
CAS Number:
21021-53-4
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD00024766
IUPAC Name:
2-(4-nitrophenyl)butanedioic acid
InChI:
InChI=1S/C10H9NO6/c12-9(13)5-8(10(14)15)6-1-3-7(4-2-6)11(16)17/h1-4,8H,5H2,(H,12,13)(H,14,15)
InChI Key:
HGBMGRXIQJGDDO-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccc(cc1)[N+](=O)[O-])C(=O)O
NSC Number:
226073
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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