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115595-28-3 | Benzoic acid, 4-(5-hexen-1-yloxy)-
CAS No: 115595-28-3 Catalog No: AG000G80 MDL No:
Product Description
Catalog Number:
AG000G80
Chemical Name:
Benzoic acid, 4-(5-hexen-1-yloxy)-
CAS Number:
115595-28-3
Molecular Formula:
C13H16O3
Molecular Weight:
220.2643
IUPAC Name:
4-hex-5-enoxybenzoic acid
InChI:
InChI=1S/C13H16O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h2,6-9H,1,3-5,10H2,(H,14,15)
InChI Key:
IBSMHZIMQAHZSK-UHFFFAOYSA-N
SMILES:
C=CCCCCOc1ccc(cc1)C(=O)O
EC Number:
601-373-8
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.268g/mol
Monoisotopic Mass:
220.11g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Review of crystalline structures of some selected homologous series of rod-like molecules capable of forming liquid crystalline phases. | International journal of molecular sciences 20110101 |
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