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31080-39-4 | Heptanoic acid, 2-propyl-
CAS No: 31080-39-4 Catalog No: AG00322R MDL No:
Product Description
Catalog Number:
AG00322R
Chemical Name:
Heptanoic acid, 2-propyl-
CAS Number:
31080-39-4
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
2-propylheptanoic acid
InChI:
InChI=1S/C10H20O2/c1-3-5-6-8-9(7-4-2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChI Key:
RXGPYPPCEXISOV-UHFFFAOYSA-N
SMILES:
CCCCCC(C(=O)O)CCC
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| The antiepileptic drug valproic acid and other medium-chain fatty acids acutely reduce phosphoinositide levels independently of inositol in Dictyostelium. | Disease models & mechanisms 20120101 |
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