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88802-61-3 | Propanoic acid, 2-(butylthio)-
CAS No: 88802-61-3 Catalog No: AG004AST MDL No:MFCD09943969
Product Description
Catalog Number:
AG004AST
Chemical Name:
Propanoic acid, 2-(butylthio)-
CAS Number:
88802-61-3
Molecular Formula:
C7H14O2S
Molecular Weight:
162.2499
MDL Number:
MFCD09943969
IUPAC Name:
2-butylsulfanylpropanoic acid
InChI:
InChI=1S/C7H14O2S/c1-3-4-5-10-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChI Key:
VVXUMDXOTNQMQQ-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)SCCCC
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.247g/mol
Monoisotopic Mass:
162.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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