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115595-27-2 | Benzoic acid, 4-(3-buten-1-yloxy)-
CAS No: 115595-27-2 Catalog No: AG000G81 MDL No:MFCD00191325
Product Description
Catalog Number:
AG000G81
Chemical Name:
Benzoic acid, 4-(3-buten-1-yloxy)-
CAS Number:
115595-27-2
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD00191325
IUPAC Name:
4-but-3-enoxybenzoic acid
InChI:
InChI=1S/C11H12O3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h2,4-7H,1,3,8H2,(H,12,13)
InChI Key:
QXZIOUAINSTHGI-UHFFFAOYSA-N
SMILES:
C=CCCOc1ccc(cc1)C(=O)O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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