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116169-10-9 | Hexanoic acid, 3-methyl-, methyl ester, (3S)-
CAS No: 116169-10-9 Catalog No: AG000BTC MDL No:
Product Description
Catalog Number:
AG000BTC
Chemical Name:
Hexanoic acid, 3-methyl-, methyl ester, (3S)-
CAS Number:
116169-10-9
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
IUPAC Name:
methyl 3-methylhexanoate
InChI:
InChI=1S/C8H16O2/c1-4-5-7(2)6-8(9)10-3/h7H,4-6H2,1-3H3
InChI Key:
VPROXMOZLPCRJN-UHFFFAOYSA-N
SMILES:
CCC[C@@H](CC(=O)OC)C
Properties
Complexity:
99.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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