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157604-22-3 | Butanedioic acid, 2-hydroxy-3-(2-methylpropyl)-, (2S,3R)-
CAS No: 157604-22-3 Catalog No: AG001PJJ MDL No:
Product Description
Catalog Number:
AG001PJJ
Chemical Name:
Butanedioic acid, 2-hydroxy-3-(2-methylpropyl)-, (2S,3R)-
CAS Number:
157604-22-3
Molecular Formula:
C8H14O5
Molecular Weight:
190.1938
IUPAC Name:
(2S,3R)-2-hydroxy-3-(2-methylpropyl)butanedioic acid
InChI:
InChI=1S/C8H14O5/c1-4(2)3-5(7(10)11)6(9)8(12)13/h4-6,9H,3H2,1-2H3,(H,10,11)(H,12,13)/t5-,6+/m1/s1
InChI Key:
JTQSCAHKZKQYOM-RITPCOANSA-N
SMILES:
CC(C[C@H]([C@@H](C(=O)O)O)C(=O)O)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
190.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.195g/mol
Monoisotopic Mass:
190.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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