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25062-90-2 | 1-Propanol, 3-(phenylsulfonyl)-
CAS No: 25062-90-2 Catalog No: AG002QCG MDL No:
Product Description
Catalog Number:
AG002QCG
Chemical Name:
1-Propanol, 3-(phenylsulfonyl)-
CAS Number:
25062-90-2
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
IUPAC Name:
3-(benzenesulfonyl)propan-1-ol
InChI:
InChI=1S/C9H12O3S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChI Key:
VUGYEHRXNLUETF-UHFFFAOYSA-N
SMILES:
OCCCS(=O)(=O)c1ccccc1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.252g/mol
Monoisotopic Mass:
200.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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