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30435-12-2 | Butane, 3-methyl-1,3-dinitro-
CAS No: 30435-12-2 Catalog No: AG00303R MDL No:
Product Description
Catalog Number:
AG00303R
Chemical Name:
Butane, 3-methyl-1,3-dinitro-
CAS Number:
30435-12-2
Molecular Formula:
C5H10N2O4
Molecular Weight:
162.1439
IUPAC Name:
3-methyl-1,3-dinitrobutane
InChI:
InChI=1S/C5H10N2O4/c1-5(2,7(10)11)3-4-6(8)9/h3-4H2,1-2H3
InChI Key:
HRXAIKGMPUQVSW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCC([N+](=O)[O-])(C)C
Properties
Complexity:
166
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:
0.8
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