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115595-31-8 | Benzoic acid, 4-(9-decen-1-yloxy)-
CAS No: 115595-31-8 Catalog No: AG000G7Y MDL No:
Product Description
Catalog Number:
AG000G7Y
Chemical Name:
Benzoic acid, 4-(9-decen-1-yloxy)-
CAS Number:
115595-31-8
Molecular Formula:
C17H24O3
Molecular Weight:
276.3707
IUPAC Name:
4-dec-9-enoxybenzoic acid
InChI:
InChI=1S/C17H24O3/c1-2-3-4-5-6-7-8-9-14-20-16-12-10-15(11-13-16)17(18)19/h2,10-13H,1,3-9,14H2,(H,18,19)
InChI Key:
GVRFHEQRUXQBQL-UHFFFAOYSA-N
SMILES:
C=CCCCCCCCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.376g/mol
Monoisotopic Mass:
276.173g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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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