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23349-98-6 | Propanoic acid, 3-(2-propen-1-ylthio)-
CAS No: 23349-98-6 Catalog No: AG002MXM MDL No:
Product Description
Catalog Number:
AG002MXM
Chemical Name:
Propanoic acid, 3-(2-propen-1-ylthio)-
CAS Number:
23349-98-6
Molecular Formula:
C6H10O2S
Molecular Weight:
146.2074
IUPAC Name:
3-prop-2-enylsulfanylpropanoic acid
InChI:
InChI=1S/C6H10O2S/c1-2-4-9-5-3-6(7)8/h2H,1,3-5H2,(H,7,8)
InChI Key:
PPARCULXOKUJAV-UHFFFAOYSA-N
SMILES:
C=CCSCCC(=O)O
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.04g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.204g/mol
Monoisotopic Mass:
146.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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