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88112-37-2 | Cyclobutanecarboxylic acid, 2-(phenylthio)-
CAS No: 88112-37-2 Catalog No: AG004E6H MDL No:
Product Description
Catalog Number:
AG004E6H
Chemical Name:
Cyclobutanecarboxylic acid, 2-(phenylthio)-
CAS Number:
88112-37-2
Molecular Formula:
C11H12O2S
Molecular Weight:
208.2768
IUPAC Name:
2-phenylsulfanylcyclobutane-1-carboxylic acid
InChI:
InChI=1S/C11H12O2S/c12-11(13)9-6-7-10(9)14-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)
InChI Key:
CLGREJAWTLUSPK-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCC1Sc1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.275g/mol
Monoisotopic Mass:
208.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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