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78655-79-5 | Pentanoic acid, 3-hydroxy-2-methyl-, methyl ester, (2R,3R)-
CAS No: 78655-79-5 Catalog No: AG005K0P MDL No:
Product Description
Catalog Number:
AG005K0P
Chemical Name:
Pentanoic acid, 3-hydroxy-2-methyl-, methyl ester, (2R,3R)-
CAS Number:
78655-79-5
Molecular Formula:
C7H14O3
Molecular Weight:
146.1843
IUPAC Name:
methyl (2R,3R)-3-hydroxy-2-methylpentanoate
InChI:
InChI=1S/C7H14O3/c1-4-6(8)5(2)7(9)10-3/h5-6,8H,4H2,1-3H3/t5-,6-/m1/s1
InChI Key:
DPSANHWICFQPHY-PHDIDXHHSA-N
SMILES:
CC[C@H]([C@H](C(=O)OC)C)O
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0.9
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