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137178-86-0 | 2-Propenoic acid, 3-(benzoylthio)-, (Z)- (9CI)
CAS No: 137178-86-0 Catalog No: AG0012W4 MDL No:
Product Description
Catalog Number:
AG0012W4
Chemical Name:
2-Propenoic acid, 3-(benzoylthio)-, (Z)- (9CI)
CAS Number:
137178-86-0
Molecular Formula:
C10H8O3S
Molecular Weight:
208.2337
IUPAC Name:
3-benzoylsulfanylprop-2-enoic acid
InChI:
InChI=1S/C10H8O3S/c11-9(12)6-7-14-10(13)8-4-2-1-3-5-8/h1-7H,(H,11,12)
InChI Key:
LDPXLLZIAMOQAB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)S/C=C\C(=O)O
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.231g/mol
Monoisotopic Mass:
208.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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