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20633-12-9 | Nitric acid, heptyl ester
CAS No: 20633-12-9 Catalog No: AG002IF5 MDL No:
Product Description
Catalog Number:
AG002IF5
Chemical Name:
Nitric acid, heptyl ester
CAS Number:
20633-12-9
Molecular Formula:
C7H15NO3
Molecular Weight:
161.1989
IUPAC Name:
heptyl nitrate
InChI:
InChI=1S/C7H15NO3/c1-2-3-4-5-6-7-11-8(9)10/h2-7H2,1H3
InChI Key:
JYMDZTRYDIQILZ-UHFFFAOYSA-N
SMILES:
CCCCCCCO[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:
0
Isotope Atom Count:
0
Molecular Weight:
161.201g/mol
Monoisotopic Mass:
161.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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