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14799-06-5 | 2-Thiophenemethanol, tetrahydro-α,α-diphenyl-, 1,1-dioxide
CAS No: 14799-06-5 Catalog No: AG001FCV MDL No:
Product Description
Catalog Number:
AG001FCV
Chemical Name:
2-Thiophenemethanol, tetrahydro-α,α-diphenyl-, 1,1-dioxide
CAS Number:
14799-06-5
Molecular Formula:
C17H18O3S
Molecular Weight:
302.3880
IUPAC Name:
(1,1-dioxothiolan-2-yl)-diphenylmethanol
InChI:
InChI=1S/C17H18O3S/c18-17(14-8-3-1-4-9-14,15-10-5-2-6-11-15)16-12-7-13-21(16,19)20/h1-6,8-11,16,18H,7,12-13H2
InChI Key:
QPAKBUVGLPWWGD-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCCC1C(c1ccccc1)(c1ccccc1)O
NSC Number:
137588
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.388g/mol
Monoisotopic Mass:
302.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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