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824429-33-6 | Propanoic acid, 2-methyl-3-(4-pentenylsulfonyl)-
CAS No: 824429-33-6 Catalog No: AG00512U MDL No:
Product Description
Catalog Number:
AG00512U
Chemical Name:
Propanoic acid, 2-methyl-3-(4-pentenylsulfonyl)-
CAS Number:
824429-33-6
Molecular Formula:
C9H16O4S
Molecular Weight:
220.2859
IUPAC Name:
2-methyl-3-pent-4-enylsulfonylpropanoic acid
InChI:
InChI=1S/C9H16O4S/c1-3-4-5-6-14(12,13)7-8(2)9(10)11/h3,8H,1,4-7H2,2H3,(H,10,11)
InChI Key:
YWGVMXRKYDPLNU-UHFFFAOYSA-N
SMILES:
C=CCCCS(=O)(=O)CC(C(=O)O)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.283g/mol
Monoisotopic Mass:
220.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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