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16250-51-4 | 2-Propenoic acid, 2-(methylthio)-3-phenyl-, (Z)- (9CI)
CAS No: 16250-51-4 Catalog No: AG001T7T MDL No:
Product Description
Catalog Number:
AG001T7T
Chemical Name:
2-Propenoic acid, 2-(methylthio)-3-phenyl-, (Z)- (9CI)
CAS Number:
16250-51-4
Molecular Formula:
C10H10O2S
Molecular Weight:
194.2502
IUPAC Name:
2-methylsulfanyl-3-phenylprop-2-enoic acid
InChI:
InChI=1S/C10H10O2S/c1-13-9(10(11)12)7-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)
InChI Key:
UBKJKGJTDQDZBY-UHFFFAOYSA-N
SMILES:
CS/C(=C\c1ccccc1)/C(=O)O
Properties
Complexity:
205
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:
1
Isotope Atom Count:
0
Molecular Weight:
194.248g/mol
Monoisotopic Mass:
194.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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