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Home > Nitro Compounds > 653306-99-1
653306-99-1 | 2,2-BIS(4-NITROBENZYL)MALONIC ACID
CAS No: 653306-99-1 Catalog No: AG019EVI MDL No:MFCD28405051
Product Description
Catalog Number:
AG019EVI
Chemical Name:
2,2-BIS(4-NITROBENZYL)MALONIC ACID
CAS Number:
653306-99-1
Molecular Formula:
C17H14N2O8
Molecular Weight:
374.3017
MDL Number:
MFCD28405051
IUPAC Name:
2,2-bis[(4-nitrophenyl)methyl]propanedioic acid
InChI:
InChI=1S/C17H14N2O8/c20-15(21)17(16(22)23,9-11-1-5-13(6-2-11)18(24)25)10-12-3-7-14(8-4-12)19(26)27/h1-8H,9-10H2,(H,20,21)(H,22,23)
InChI Key:
XBTOPDJPKIXQGK-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)(Cc1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.075g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
374.305g/mol
Monoisotopic Mass:
374.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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