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1914-61-0 | Acetic acid, [(2-phenylethenyl)thio]-, (Z)- (9CI)
CAS No: 1914-61-0 Catalog No: AG002F7O MDL No:
Product Description
Catalog Number:
AG002F7O
Chemical Name:
Acetic acid, [(2-phenylethenyl)thio]-, (Z)- (9CI)
CAS Number:
1914-61-0
Molecular Formula:
C10H10O2S
Molecular Weight:
194.2502
IUPAC Name:
4-phenylbut-3-enethioic S-acid
InChI:
InChI=1S/C10H10OS/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H,11,12)
InChI Key:
SEUYMUDVXBSSGT-UHFFFAOYSA-N
SMILES:
OC(=O)CS/C=C\c1ccccc1
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.249g/mol
Monoisotopic Mass:
178.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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