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Home > Nitro Compounds > 114212-37-2
114212-37-2 | Nonanedioic acid, 4-nitro-
CAS No: 114212-37-2 Catalog No: AG000ATB MDL No:
Product Description
Catalog Number:
AG000ATB
Chemical Name:
Nonanedioic acid, 4-nitro-
CAS Number:
114212-37-2
Molecular Formula:
C9H15NO6
Molecular Weight:
233.2185
IUPAC Name:
4-nitrononanedioic acid
InChI:
InChI=1S/C9H15NO6/c11-8(12)4-2-1-3-7(10(15)16)5-6-9(13)14/h7H,1-6H2,(H,11,12)(H,13,14)
InChI Key:
GRMUXYFRDSCAQZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC([N+](=O)[O-])CCC(=O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.22g/mol
Monoisotopic Mass:
233.09g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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