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23281-95-0 | 2-Propenoic acid, 2-methyl-, 2-(butylthio)ethyl ester
CAS No: 23281-95-0 Catalog No: AG002MRP MDL No:
Product Description
Catalog Number:
AG002MRP
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-(butylthio)ethyl ester
CAS Number:
23281-95-0
Molecular Formula:
C10H18O2S
Molecular Weight:
202.3137
IUPAC Name:
2-butylsulfanylethyl 2-methylprop-2-enoate
InChI:
InChI=1S/C10H18O2S/c1-4-5-7-13-8-6-12-10(11)9(2)3/h2,4-8H2,1,3H3
InChI Key:
COKZCMFCVMEDJM-UHFFFAOYSA-N
SMILES:
CCCCSCCOC(=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:
0
Isotope Atom Count:
0
Molecular Weight:
202.312g/mol
Monoisotopic Mass:
202.103g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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