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84254-87-5 | (E)-Cinnamyl 2-methylisocrotonate
CAS No: 84254-87-5 Catalog No: AG004YQE MDL No:
Product Description
Catalog Number:
AG004YQE
Chemical Name:
(E)-Cinnamyl 2-methylisocrotonate
CAS Number:
84254-87-5
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
[(E)-3-phenylprop-2-enyl] (Z)-2-methylbut-2-enoate
InChI:
InChI=1S/C14H16O2/c1-3-12(2)14(15)16-11-7-10-13-8-5-4-6-9-13/h3-10H,11H2,1-2H3/b10-7+,12-3-
InChI Key:
KRNURAJANZKGQN-QVSSJFJDSA-N
SMILES:
C/C=C(\C(=O)OC/C=C/c1ccccc1)/C
EC Number:
282-533-0
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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