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19892-92-3 | Pentanoic acid, 2-hydroxy-4-methyl-, 1,1-dimethylethyl ester, (2R)-
CAS No: 19892-92-3 Catalog No: AG002BTO MDL No:
Product Description
Catalog Number:
AG002BTO
Chemical Name:
Pentanoic acid, 2-hydroxy-4-methyl-, 1,1-dimethylethyl ester, (2R)-
CAS Number:
19892-92-3
Molecular Formula:
C10H20O3
Molecular Weight:
188.2640
IUPAC Name:
tert-butyl (2R)-2-hydroxy-4-methylpentanoate
InChI:
InChI=1S/C10H20O3/c1-7(2)6-8(11)9(12)13-10(3,4)5/h7-8,11H,6H2,1-5H3/t8-/m1/s1
InChI Key:
JXHBSPWXNWZNDR-MRVPVSSYSA-N
SMILES:
CC(C[C@H](C(=O)OC(C)(C)C)O)C
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:
2.2
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