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Home > Nitro Compounds > 73491-90-4
73491-90-4 | Butanedioic acid,2-hydroxy-2-(nitromethyl)-
CAS No: 73491-90-4 Catalog No: AG005DG6 MDL No:
Product Description
Catalog Number:
AG005DG6
Chemical Name:
Butanedioic acid,2-hydroxy-2-(nitromethyl)-
CAS Number:
73491-90-4
Molecular Formula:
C5H7NO7
Molecular Weight:
193.1116
IUPAC Name:
2-hydroxy-2-(nitromethyl)butanedioic acid
InChI:
InChI=1S/C5H7NO7/c7-3(8)1-5(11,4(9)10)2-6(12)13/h11H,1-2H2,(H,7,8)(H,9,10)
InChI Key:
MTIGFRIXIPBOPZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(C(=O)O)(CC(=O)O)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.111g/mol
Monoisotopic Mass:
193.022g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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