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Home > Nitro Compounds > 133088-94-5
133088-94-5 | 1-Heptanol, 7-nitro-
CAS No: 133088-94-5 Catalog No: AG00148K MDL No:
Product Description
Catalog Number:
AG00148K
Chemical Name:
1-Heptanol, 7-nitro-
CAS Number:
133088-94-5
Molecular Formula:
C7H15NO3
Molecular Weight:
161.1989
IUPAC Name:
7-nitroheptan-1-ol
InChI:
InChI=1S/C7H15NO3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2
InChI Key:
NSQGVCPOJCWINW-UHFFFAOYSA-N
SMILES:
OCCCCCCC[N+](=O)[O-]
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.201g/mol
Monoisotopic Mass:
161.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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