200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 629-37-8
629-37-8 | 1-nitrooctane
CAS No: 629-37-8 Catalog No: AG00F32B MDL No:
Product Description
Catalog Number:
AG00F32B
Chemical Name:
1-nitrooctane
CAS Number:
629-37-8
IUPAC Name:
1-nitrooctane
InChI:
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
InChI Key:
KLGHUFNKRIWCDQ-UHFFFAOYSA-N
NSC Number:
3659
Properties
Complexity:
98.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Crystal structures of intermediates in the nitroalkane oxidase reaction. | Biochemistry 20090421 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.