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85908-45-8 | 2-Propenoic acid, 2-(phenylthio)-, methyl ester
CAS No: 85908-45-8 Catalog No: AG004MWF MDL No:
Product Description
Catalog Number:
AG004MWF
Chemical Name:
2-Propenoic acid, 2-(phenylthio)-, methyl ester
CAS Number:
85908-45-8
Molecular Formula:
C10H10O2S
Molecular Weight:
194.2502
IUPAC Name:
methyl 2-phenylsulfanylprop-2-enoate
InChI:
InChI=1S/C10H10O2S/c1-8(10(11)12-2)13-9-6-4-3-5-7-9/h3-7H,1H2,2H3
InChI Key:
TYCXPIIVMJFETA-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)Sc1ccccc1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.248g/mol
Monoisotopic Mass:
194.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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