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101421-82-3 | Butanoic acid, 4-(acetylthio)-
CAS No: 101421-82-3 Catalog No: AG0004GK MDL No:
Product Description
Catalog Number:
AG0004GK
Chemical Name:
Butanoic acid, 4-(acetylthio)-
CAS Number:
101421-82-3
Molecular Formula:
C6H10O3S
Molecular Weight:
162.2068
IUPAC Name:
4-acetylsulfanylbutanoic acid
InChI:
InChI=1S/C6H10O3S/c1-5(7)10-4-2-3-6(8)9/h2-4H2,1H3,(H,8,9)
InChI Key:
OTORAPMCRFGVJV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCSC(=O)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.035g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.203g/mol
Monoisotopic Mass:
162.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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