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2490-00-8 | Octanoic acid, 2,4,6-trimethyl-, methyl ester, (2R,4R,6R)-
CAS No: 2490-00-8 Catalog No: AG002PTA MDL No:
Product Description
Catalog Number:
AG002PTA
Chemical Name:
Octanoic acid, 2,4,6-trimethyl-, methyl ester, (2R,4R,6R)-
CAS Number:
2490-00-8
Molecular Formula:
C12H24O2
Molecular Weight:
200.3178
IUPAC Name:
methyl (2R,4R,6R)-2,4,6-trimethyloctanoate
InChI:
InChI=1S/C12H24O2/c1-6-9(2)7-10(3)8-11(4)12(13)14-5/h9-11H,6-8H2,1-5H3/t9-,10-,11-/m1/s1
InChI Key:
RBRLRKACDFDWRL-GMTAPVOTSA-N
SMILES:
CC[C@H](C[C@H](C[C@H](C(=O)OC)C)C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
200.178g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.322g/mol
Monoisotopic Mass:
200.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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