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87128-49-2 | Butanoic acid, 3-hydroxy-, 1-methylethyl ester, (R)-
CAS No: 87128-49-2 Catalog No: AG004OTK MDL No:MFCD28990654
Product Description
Catalog Number:
AG004OTK
Chemical Name:
Butanoic acid, 3-hydroxy-, 1-methylethyl ester, (R)-
CAS Number:
87128-49-2
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
MDL Number:
MFCD28990654
IUPAC Name:
propan-2-yl (3R)-3-hydroxybutanoate
InChI:
InChI=1S/C7H14O3/c1-5(2)10-7(9)4-6(3)8/h5-6,8H,4H2,1-3H3/t6-/m1/s1
InChI Key:
OHQCTLBHQBPXLU-ZCFIWIBFSA-N
SMILES:
C[C@H](CC(=O)OC(C)C)O
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
146.094g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.186g/mol
Monoisotopic Mass:
146.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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