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13955-70-9 | Nonanoic acid, 4,8-dimethyl-, (4R)-
CAS No: 13955-70-9 Catalog No: AG001B93 MDL No:
Product Description
Catalog Number:
AG001B93
Chemical Name:
Nonanoic acid, 4,8-dimethyl-, (4R)-
CAS Number:
13955-70-9
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
IUPAC Name:
(4R)-4,8-dimethylnonanoic acid
InChI:
InChI=1S/C11H22O2/c1-9(2)5-4-6-10(3)7-8-11(12)13/h9-10H,4-8H2,1-3H3,(H,12,13)/t10-/m1/s1
InChI Key:
VZPIUNDOWLDCTC-SNVBAGLBSA-N
SMILES:
C[C@@H](CCC(=O)O)CCCC(C)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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