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15071-34-8 | Butanoic acid, 2,3-dimethyl-, (2S)-
CAS No: 15071-34-8 Catalog No: AG001MT4 MDL No:MFCD12546152
Product Description
Catalog Number:
AG001MT4
Chemical Name:
Butanoic acid, 2,3-dimethyl-, (2S)-
CAS Number:
15071-34-8
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD12546152
IUPAC Name:
(2S)-2,3-dimethylbutanoic acid
InChI:
InChI=1S/C6H12O2/c1-4(2)5(3)6(7)8/h4-5H,1-3H3,(H,7,8)/t5-/m0/s1
InChI Key:
XFOASZQZPWEJAA-YFKPBYRVSA-N
SMILES:
C[C@H](C(=O)O)C(C)C
UNII:
M22LU64H95
Properties
Complexity:
86.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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