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Home > Nitro Compounds > 102014-44-8
102014-44-8 | 2-Pentanol, 4-methyl-1-nitro-
CAS No: 102014-44-8 Catalog No: AG0006C9 MDL No:
Product Description
Catalog Number:
AG0006C9
Chemical Name:
2-Pentanol, 4-methyl-1-nitro-
CAS Number:
102014-44-8
Molecular Formula:
C6H13NO3
Molecular Weight:
147.1723
IUPAC Name:
4-methyl-1-nitropentan-2-ol
InChI:
InChI=1S/C6H13NO3/c1-5(2)3-6(8)4-7(9)10/h5-6,8H,3-4H2,1-2H3
InChI Key:
OFEODFOGZSJOCW-UHFFFAOYSA-N
SMILES:
CC(CC(C[N+](=O)[O-])O)C
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.174g/mol
Monoisotopic Mass:
147.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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