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85997-68-8 | 2-Propenoic acid, 2-methyl-, 2-[(1,1-dimethylethyl)sulfonyl]ethyl ester
CAS No: 85997-68-8 Catalog No: AG004Q2P MDL No:
Product Description
Catalog Number:
AG004Q2P
Chemical Name:
2-Propenoic acid, 2-methyl-, 2-[(1,1-dimethylethyl)sulfonyl]ethyl ester
CAS Number:
85997-68-8
Molecular Formula:
C10H18O4S
Molecular Weight:
234.3125
IUPAC Name:
2-tert-butylsulfonylethyl 2-methylprop-2-enoate
InChI:
InChI=1S/C10H18O4S/c1-8(2)9(11)14-6-7-15(12,13)10(3,4)5/h1,6-7H2,2-5H3
InChI Key:
CDYFJCKRDKFODG-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)OCCS(=O)(=O)C(C)(C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.31g/mol
Monoisotopic Mass:
234.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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