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88277-59-2 | Butanoic acid, 2-(mercaptomethyl)-3-methyl-
CAS No: 88277-59-2 Catalog No: AG004BJH MDL No:
Product Description
Catalog Number:
AG004BJH
Chemical Name:
Butanoic acid, 2-(mercaptomethyl)-3-methyl-
CAS Number:
88277-59-2
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
IUPAC Name:
3-methyl-2-(sulfanylmethyl)butanoic acid
InChI:
InChI=1S/C6H12O2S/c1-4(2)5(3-9)6(7)8/h4-5,9H,3H2,1-2H3,(H,7,8)
InChI Key:
QOQFSZAIRMBTNR-UHFFFAOYSA-N
SMILES:
SCC(C(=O)O)C(C)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.22g/mol
Monoisotopic Mass:
148.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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