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Home > Other Heterocycles > 681294-18-8
681294-18-8 | Phenol, 2-[(2E)-3-bicyclo[4.2.0]octa-1,3,5-trien-3-yl-2-propenyl]-
CAS No: 681294-18-8 Catalog No: AG006EZC MDL No:
Product Description
Catalog Number:
AG006EZC
Chemical Name:
Phenol, 2-[(2E)-3-bicyclo[4.2.0]octa-1,3,5-trien-3-yl-2-propenyl]-
CAS Number:
681294-18-8
Molecular Formula:
C17H16O
Molecular Weight:
236.3083
IUPAC Name:
2-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-2-enyl]phenol
InChI:
InChI=1S/C17H16O/c18-17-7-2-1-5-15(17)6-3-4-13-8-9-14-10-11-16(14)12-13/h1-5,7-9,12,18H,6,10-11H2
InChI Key:
QZEKPXXVWIKDOV-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C/C=C/c1ccc2c(c1)CC2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.12g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.314g/mol
Monoisotopic Mass:
236.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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