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119546-81-5 | 2-Propenoic acid, 2-methyl-, 6-mercaptohexyl ester
CAS No: 119546-81-5 Catalog No: AG000IXQ MDL No:
Product Description
Catalog Number:
AG000IXQ
Chemical Name:
2-Propenoic acid, 2-methyl-, 6-mercaptohexyl ester
CAS Number:
119546-81-5
Molecular Formula:
C10H18O2S
Molecular Weight:
202.3137
IUPAC Name:
6-sulfanylhexyl 2-methylprop-2-enoate
InChI:
InChI=1S/C10H18O2S/c1-9(2)10(11)12-7-5-3-4-6-8-13/h13H,1,3-8H2,2H3
InChI Key:
CQSCLHTVBUJKKR-UHFFFAOYSA-N
SMILES:
SCCCCCCOC(=O)C(=C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.103g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.312g/mol
Monoisotopic Mass:
202.103g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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