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74036-83-2 | Decanoic acid, 2-methyl-, (2S)-
CAS No: 74036-83-2 Catalog No: AG005I7H MDL No:
Product Description
Catalog Number:
AG005I7H
Chemical Name:
Decanoic acid, 2-methyl-, (2S)-
CAS Number:
74036-83-2
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
IUPAC Name:
(2S)-2-methyldecanoic acid
InChI:
InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10(2)11(12)13/h10H,3-9H2,1-2H3,(H,12,13)/t10-/m0/s1
InChI Key:
SAOSCTYRONNFTC-JTQLQIEISA-N
SMILES:
CCCCCCCC[C@@H](C(=O)O)C
Properties
Complexity:
132
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:
8
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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