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156276-25-4 | Pentanoic acid, 2-hydroxy-4-methyl-, 1-methylethyl ester
CAS No: 156276-25-4 Catalog No: AG001ON8 MDL No:MFCD00059361
Product Description
Catalog Number:
AG001ON8
Chemical Name:
Pentanoic acid, 2-hydroxy-4-methyl-, 1-methylethyl ester
CAS Number:
156276-25-4
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
MDL Number:
MFCD00059361
IUPAC Name:
propan-2-yl 2-hydroxy-4-methylpentanoate
InChI:
InChI=1S/C9H18O3/c1-6(2)5-8(10)9(11)12-7(3)4/h6-8,10H,5H2,1-4H3
InChI Key:
VQIAGTIGPQKFBY-UHFFFAOYSA-N
SMILES:
CC(CC(C(=O)OC(C)C)O)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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