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2104-20-3 | Nitric acid, phenyl ester
CAS No: 2104-20-3 Catalog No: AG002KRI MDL No:
Product Description
Catalog Number:
AG002KRI
Chemical Name:
Nitric acid, phenyl ester
CAS Number:
2104-20-3
Molecular Formula:
C6H5NO3
Molecular Weight:
139.1088
IUPAC Name:
phenyl nitrate
InChI:
InChI=1S/C6H5NO3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H
InChI Key:
FPJQWFBQXIKMMP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)Oc1ccccc1
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.11g/mol
Monoisotopic Mass:
139.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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