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Home > Nitro Compounds > 20575-38-6
20575-38-6 | 2-Butanol, 3-methyl-3-nitro-
CAS No: 20575-38-6 Catalog No: AG002ACC MDL No:
Product Description
Catalog Number:
AG002ACC
Chemical Name:
2-Butanol, 3-methyl-3-nitro-
CAS Number:
20575-38-6
Molecular Formula:
C5H11NO3
Molecular Weight:
133.1457
IUPAC Name:
3-methyl-3-nitrobutan-2-ol
InChI:
InChI=1S/C5H11NO3/c1-4(7)5(2,3)6(8)9/h4,7H,1-3H3
InChI Key:
MVFMATZFWFEEKJ-UHFFFAOYSA-N
SMILES:
CC(C([N+](=O)[O-])(C)C)O
NSC Number:
17685
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.074g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.147g/mol
Monoisotopic Mass:
133.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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