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Home > Nitro Compounds > 625-74-1
625-74-1 | 2-methyl-1-nitropropane
CAS No: 625-74-1 Catalog No: AG00F30O MDL No:MFCD00094894
Product Description
Catalog Number:
AG00F30O
Chemical Name:
2-methyl-1-nitropropane
CAS Number:
625-74-1
Molecular Formula:
C4H9NO2
Molecular Weight:
103.1198
MDL Number:
MFCD00094894
IUPAC Name:
2-methyl-1-nitropropane
InChI:
InChI=1S/C4H9NO2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3
InChI Key:
XFXRMDNWSGXSNJ-UHFFFAOYSA-N
SMILES:
CC(C[N+](=O)[O-])C
NSC Number:
3660
Properties
Complexity:
64.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.063g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
103.121g/mol
Monoisotopic Mass:
103.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| The scent of bacteria: headspace analysis for the discovery of natural products. | Journal of natural products 20121026 |
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