200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114467-57-1
114467-57-1 | 2,5-Hexadien-1-ol, 2-methyl-6-phenyl-, (2E,5E)-
CAS No: 114467-57-1 Catalog No: AG000EGL MDL No:
Product Description
Catalog Number:
AG000EGL
Chemical Name:
2,5-Hexadien-1-ol, 2-methyl-6-phenyl-, (2E,5E)-
CAS Number:
114467-57-1
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
2-methyl-6-phenylhexa-2,5-dien-1-ol
InChI:
InChI=1S/C13H16O/c1-12(11-14)7-5-6-10-13-8-3-2-4-9-13/h2-4,6-10,14H,5,11H2,1H3
InChI Key:
VRXHKVMAWYLSSJ-UHFFFAOYSA-N
SMILES:
OC/C(=C/C/C=C/c1ccccc1)/C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.