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144407-72-7 | Cyclopropanecarboxylic acid, 2-(phenylthio)-, methyl ester, trans- (9CI)
CAS No: 144407-72-7 Catalog No: AG001JGX MDL No:
Product Description
Catalog Number:
AG001JGX
Chemical Name:
Cyclopropanecarboxylic acid, 2-(phenylthio)-, methyl ester, trans- (9CI)
CAS Number:
144407-72-7
Molecular Formula:
C11H12O2S
Molecular Weight:
208.2768
IUPAC Name:
methyl 2-phenylsulfanylcyclopropane-1-carboxylate
InChI:
InChI=1S/C11H12O2S/c1-13-11(12)9-7-10(9)14-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3
InChI Key:
XRUTYHJFFJHKCE-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1C[C@H]1Sc1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
208.275g/mol
Monoisotopic Mass:
208.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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