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88934-33-2 | Octanoic acid, 5,7,7-trimethyl-2-(1-methylethyl)-
CAS No: 88934-33-2 Catalog No: AG004807 MDL No:
Product Description
Catalog Number:
AG004807
Chemical Name:
Octanoic acid, 5,7,7-trimethyl-2-(1-methylethyl)-
CAS Number:
88934-33-2
Molecular Formula:
C14H28O2
Molecular Weight:
228.3709
IUPAC Name:
5,7,7-trimethyl-2-propan-2-yloctanoic acid
InChI:
InChI=1S/C14H28O2/c1-10(2)12(13(15)16)8-7-11(3)9-14(4,5)6/h10-12H,7-9H2,1-6H3,(H,15,16)
InChI Key:
RCWOIZSZIYGVEJ-UHFFFAOYSA-N
SMILES:
CC(CC(C)(C)C)CCC(C(=O)O)C(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.209g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.376g/mol
Monoisotopic Mass:
228.209g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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