AG00HADG

104594-70-9 | 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

AG00HADG

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	104594-70-9
Catalog Number	AG00HADG(AGN-PC-0JLG3S)
Chemical Name	2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name	2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI	InChI=1S/C17H16O4/c18-15-8-6-14(12-16(15)19)7-9-17(20)21-11-10-13-4-2-1-3-5-13/h1-9,12,18-19H,10-11H2/b9-7+
InChI Key	SWUARLUWKZWEBQ-VQHVLOKHSA-N
MDL Number	MFCD00866470
Molecular Formula	C17H16O4
Molecular Weight	284.3065
SMILES	OC=1C=C(C=CC1O)C=CC(=O)OCCC1=CC=CC=C1
UNII	G960R9S5SK
Synonyms	caffeic acid phenethyl ester, caffeic acid phenyl ester, CAPE compound, CAPEEE, phenethyl caffeate, phenyl caffeate, Caffeic acid phenethyl ester, Phenethyl caffeate, 104594-70-9, CAPE, Phenylethyl caffeate, Capeee, phenethyl 3-(3,4-dihydroxyphenyl)acrylate, 115610-29-2, caffeic acid phenylethyl ester, UNII-G960R9S5SK, 2-phenylethyl caffeate, PHENETHYL CAFFEATE (CAPE), Caffeic acid-phenethyl ester, CHEBI:8062, CHEMBL319244, G960R9S5SK, 100981-80-4, Caffeic acid 2-phenylethyl ester, SWUARLUWKZWEBQ-VQHVLOKHSA-N, 2-phenylethyl 3-(3,4-dihydroxyphenyl)-2-propenoate, MFCD00866470, Caffeic Acid Phenethyl Ester, Synthetic, 2-Phenylethyl (2e)-3-(3,4-Dihydroxyphenyl)prop-2-Enoate, 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, (E)-phenethyl 3-(3,4-dihydroxyphenyl)acrylate, 2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate, 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)acrylate, phenethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, 3-(3,4-Dihydroxyphenyl)-2-propenoic acid 2-phenylethyl ester, SMR000326751, 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester, SR-01000075785, phenethyl 3,4-dihydroxycinnamate, QAP, caffeic acidphenethylester, caffeic acid phenethylester, AC1NQZ32, caffeic-acid-phenethyl-ester, caffeic acid phenylethylester, Lopac0_000269, BSPBio_001560, BSPBio_003586, MLS000859889, MLS002207297, SPECTRUM1502209, ZINC1083, Jsp000448, DTXSID8040987, CHEBI:93478, FR102, HMS1361N22, HMS1791N22, HMS1989N22, HMS2233J04, HMS3260F20, HMS3402N22, HMS3649C16, HMS3677D22, Phenylethyl 3,4-dihydroxycinnamate, Caffeic acid beta-phenylethyl ester, Trans-Caffeic Acid Phenethyl Ester, BCP27877, Caffeic acid phenethyl ester(CAPE), EBD26363, HY-N0274, Tox21_500269, BDBM50029207, Caffeic acid phenethyl ester (CAPE), CCG-39542, s7414, 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, 2-phenylethyl ester, (E)-, AKOS015888207, AC-8896, LP00269, RP17623, RTR-001007, IDI1_034030, QTL1_000016, NCGC00093727-01, NCGC00093727-02, NCGC00093727-03, NCGC00093727-04, NCGC00093727-05, NCGC00093727-06, NCGC00093727-07, NCGC00093727-08, NCGC00093727-09, NCGC00260954-01, AJ-07958, AN-33053, AS-14021, I793, SC-19142, ZB000242, LS-123626, TR-001007, CS-0008774, EU-0100269, ST24031525, SW219156-1, B-6327, C 8221, C10484, I01-0894, SR-01000075785-1, SR-01000075785-6, SR-01000075785-9, BRD-K84709232-001-02-6, BRD-K96188950-001-02-9, BRD-K96188950-001-04-5, Caffeic acid phenethyl ester, >=97% (HPLC), powder, I14-33952, 3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester, (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid phenethyl ester, daidzein, phenyl caffeate, CAPE compound, |A-Phenylethyl caffeate, caffeic acid phenyl ester, D06YGF, C17H16O4, ACN-040218, C17-H16-O4, CID5281787, 3,4-Dihydroxycinnamic Acid Phenethyl Ester, B1644, A13698, C-1400, 3,4-Dihydroxy-trans-cinnamic acid phenethyl ester, C055494, 2-phenylethyl3-(3,4-dihydroxyphenyl)-2-propenoate, 486-66-8, Caffeic acid phenethyl ester, 99%, a protein tyrosine kinase and ornithine decarboxylase inhibitor - 100MG 100mg,

Complexity	347
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	284.105g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	284.311g/mol
Monoisotopic Mass	284.105g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number