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119638-95-8 | Pentanoic acid, 3-hydroxy-4-methyl-, 1,1-dimethylethyl ester, (3R)-
CAS No: 119638-95-8 Catalog No: AG000PE5 MDL No:
Product Description
Catalog Number:
AG000PE5
Chemical Name:
Pentanoic acid, 3-hydroxy-4-methyl-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
119638-95-8
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
tert-butyl (3R)-3-hydroxy-4-methylpentanoate
InChI:
InChI=1S/C10H20O3/c1-7(2)8(11)6-9(12)13-10(3,4)5/h7-8,11H,6H2,1-5H3/t8-/m1/s1
InChI Key:
SSRUNKMCRKBGIW-MRVPVSSYSA-N
SMILES:
O=C(OC(C)(C)C)C[C@H](C(C)C)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
188.141g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.267g/mol
Monoisotopic Mass:
188.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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