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Home > Nitro Compounds > 80255-18-1
80255-18-1 | 1-Pentene, 4,4-dimethyl-2-nitro-
CAS No: 80255-18-1 Catalog No: AG00542P MDL No:
Product Description
Catalog Number:
AG00542P
Chemical Name:
1-Pentene, 4,4-dimethyl-2-nitro-
CAS Number:
80255-18-1
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
IUPAC Name:
4,4-dimethyl-2-nitropent-1-ene
InChI:
InChI=1S/C7H13NO2/c1-6(8(9)10)5-7(2,3)4/h1,5H2,2-4H3
InChI Key:
ATVAMIYESAEFMB-UHFFFAOYSA-N
SMILES:
C=C([N+](=O)[O-])CC(C)(C)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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