2-Propenoic acid,3-phenyl-, 2-methoxy-4-(2-propen-1-yl)phenyl ester 532-08-1

Details:

Identification and Related Records
【Name】
2-Propenoic acid,3-phenyl-, 2-methoxy-4-(2-propen-1-yl)phenyl ester
【Iupac name】
(2-methoxy-4-prop-2-enylphenyl) (E)-3-phenylprop-2-enoate
【CAS Registry number】
532-08-1
【Synonyms】
2-Propenoicacid, 3-phenyl-, 2-methoxy-4-(2-propenyl)phenyl ester (9CI)
Cinnamic acid,4-allyl-2-methoxyphenyl ester (7CI,8CI)
Phenol, 4-allyl-2-methoxy-, cinnamate
Cinnamyl eugenol
Eugenol cinnamate
NSC 46764
【EINECS(EC#)】
208-526-4
【Molecular Formula】
C19H18 O3 (Products with the same molecular formula)
【Molecular Weight】
294.34442
【Inchi】
InChI=1/C19H18O3/c1-3-7-16-10-12-17(18(14-16)21-2)22-19(20)13-11-15-8-5-4-6-9-15/h3-6,8-14H,1,7H2,2H3/b13-11+
【Canonical SMILES】
COC1=C(C=CC(=C1)CC=C)OC(=O)C=CC2=CC=CC=C2
【Isomers smiles】
COC1=C(C=CC(=C1)CC=C)OC(=O)/C=C/C2=CC=CC=C2
【MOL File】
532-08-1.mol
Chemical and Physical Properties
【Density】
1.113g/cm3
【Boiling Point】
452°Cat760mmHg
【Refractive Index】
1.588
【Flash Point】
193.7°C
【Computed Properties】
Molecular Weight:294.34442 [g/mol]
Molecular Formula:C19H18O3
XLogP3-AA:4.8
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:7
Exact Mass:294.125594
MonoIsotopic Mass:294.125594
Topological Polar Surface Area:35.5
Heavy Atom Count:22
Formal Charge:0
Complexity:382
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:134