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141135-36-6 | 2-Propenoic acid, 3-[(triphenylmethyl)thio]-, methyl ester, (Z)- (9CI)
CAS No: 141135-36-6 Catalog No: AG001FZC MDL No:
Product Description
Catalog Number:
AG001FZC
Chemical Name:
2-Propenoic acid, 3-[(triphenylmethyl)thio]-, methyl ester, (Z)- (9CI)
CAS Number:
141135-36-6
Molecular Formula:
C23H20O2S
Molecular Weight:
360.4687
IUPAC Name:
methyl 3-tritylsulfanylprop-2-enoate
InChI:
InChI=1S/C23H20O2S/c1-25-22(24)17-18-26-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18H,1H3
InChI Key:
UIJWCMKQXRSOFD-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C\SC(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.118g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.471g/mol
Monoisotopic Mass:
360.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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