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139774-64-4 | 2-Propenoic acid, 2-[(cyclohexylthio)methyl]-, ethyl ester
CAS No: 139774-64-4 Catalog No: AG001BPG MDL No:
Product Description
Catalog Number:
AG001BPG
Chemical Name:
2-Propenoic acid, 2-[(cyclohexylthio)methyl]-, ethyl ester
CAS Number:
139774-64-4
Molecular Formula:
C12H20O2S
Molecular Weight:
228.3510
IUPAC Name:
ethyl 2-(cyclohexylsulfanylmethyl)prop-2-enoate
InChI:
InChI=1S/C12H20O2S/c1-3-14-12(13)10(2)9-15-11-7-5-4-6-8-11/h11H,2-9H2,1H3
InChI Key:
QWQZFCAVEDGCDE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C)CSC1CCCCC1
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.118g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.35g/mol
Monoisotopic Mass:
228.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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