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Home > Nitro Compounds > 762-98-1
762-98-1 | 2,2-DIMETHYL-1,3-DINITROPROPANE
CAS No: 762-98-1 Catalog No: AG00G3I6 MDL No:MFCD00086898
Product Description
Catalog Number:
AG00G3I6
Chemical Name:
2,2-DIMETHYL-1,3-DINITROPROPANE
CAS Number:
762-98-1
Molecular Formula:
C5H10N2O4
Molecular Weight:
162.1439
MDL Number:
MFCD00086898
IUPAC Name:
2,2-dimethyl-1,3-dinitropropane
InChI:
InChI=1S/C5H10N2O4/c1-5(2,3-6(8)9)4-7(10)11/h3-4H2,1-2H3
InChI Key:
IHFMWDOLRBNYBN-UHFFFAOYSA-N
SMILES:
CC(C[N+](=O)[O-])(C[N+](=O)[O-])C
NSC Number:
2682
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.145g/mol
Monoisotopic Mass:
162.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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