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89093-64-1 | Methanol, (phenylthio)-, nitrate
CAS No: 89093-64-1 Catalog No: AG003ZZ4 MDL No:
Product Description
Catalog Number:
AG003ZZ4
Chemical Name:
Methanol, (phenylthio)-, nitrate
CAS Number:
89093-64-1
Molecular Formula:
C7H9NO4S
Molecular Weight:
203.2157
IUPAC Name:
nitric acid;phenylsulfanylmethanol
InChI:
InChI=1S/C7H8OS.HNO3/c8-6-9-7-4-2-1-3-5-7;2-1(3)4/h1-5,8H,6H2;(H,2,3,4)
InChI Key:
OALYQUFKHNEEBN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O.OCSc1ccccc1
Properties
Complexity:
94.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.212g/mol
Monoisotopic Mass:
203.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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