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21823-27-8 | 5-nitropentan-1-ol
CAS No: 21823-27-8 Catalog No: AG00O7W3 MDL No:MFCD28014136
Product Description
Catalog Number:
AG00O7W3
Chemical Name:
5-nitropentan-1-ol
CAS Number:
21823-27-8
Molecular Formula:
C5H11NO3
Molecular Weight:
133.1457
MDL Number:
MFCD28014136
IUPAC Name:
5-nitropentan-1-ol
InChI:
InChI=1S/C5H11NO3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2
InChI Key:
UISXXYURSRKYST-UHFFFAOYSA-N
SMILES:
OCCCCC[N+](=O)[O-]
Properties
Complexity:
78.8
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:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Heat capacity and thermal expansion anomalies in the nitromethane-1-butanol mixture near its upper critical point. | Physical review. E, Statistical, nonlinear, and soft matter physics 20020901 |
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