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151409-53-9 | Pentanoic acid, 2-methyl-, methyl ester, (2S)-
CAS No: 151409-53-9 Catalog No: AG001NBE MDL No:
Product Description
Catalog Number:
AG001NBE
Chemical Name:
Pentanoic acid, 2-methyl-, methyl ester, (2S)-
CAS Number:
151409-53-9
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
IUPAC Name:
methyl (2S)-2-methylpentanoate
InChI:
InChI=1S/C7H14O2/c1-4-5-6(2)7(8)9-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChI Key:
ZTULNMNIVVMLIU-LURJTMIESA-N
SMILES:
CCC[C@@H](C(=O)OC)C
Properties
Complexity:
88.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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