AG003FTR

6972-61-8 | 3-(2,4-dimethoxyphenyl)prop-2-enoic acid

AG003FTR

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CAS Number	6972-61-8
Catalog Number	AG003FTR(AGN-PC-0JLVTN)
Chemical Name	3-(2,4-dimethoxyphenyl)prop-2-enoic acid
IUPAC Name	(E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid
InChI	InChI=1S/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4+
InChI Key	YIKHDPHTFYWYJV-GQCTYLIASA-N
MDL Number	MFCD00016837
Molecular Formula	C11H12O4
Molecular Weight	208.2106
NSC Number	62137
SMILES	COc1ccc(c(c1)OC)C=CC(=O)O
Synonyms	2,4-Dimethoxycinnamic acid, 6972-61-8, 16909-09-4, 3-(2,4-Dimethoxyphenyl)acrylic acid, 2',4'-Dimethoxycinnamic acid, (2e)-3-(2,4-dimethoxyphenyl)acrylic acid, (E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid, 3-(2,4-dimethoxyphenyl)prop-2-enoic acid, 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, EINECS 230-208-9, 3-(2,4-Dimethoxyphenyl)-2-propenoic acid, (E)-3-(2,4-dimethoxyphenyl)acrylic Acid, trans-2,4-Dimethoxycinnamic acid, YIKHDPHTFYWYJV-GQCTYLIASA-N, (2E)-3-(2,4-dimethoxyphenyl)prop-2-enoic acid, MFCD00016837, (E)-2',4'-Dimethoxycinnamic acid, EINECS 240-955-2, AC1LECSB, PubChem13610, AC1Q5RAS, 2-propenoic acid, 3-(2,4-dimethoxyphenyl)-, (2E)-, AC1Q48WQ, Dimethoxycinnamicacid; 96%, SCHEMBL79456, AC1Q5T97, ZINC149358, ALBB-021129, BB_NC-00365, NSC62137, ZX-AL001887, ZX-AN036738, 2,4-Dimethoxycinnamic Acid , 96%, BBL027822, NSC-62137, SBB015968, STL371984, AKOS000120356, NE18848, VZ22629, ACM16909094, trans-2,4-Dimethoxycinnamic acid, 98%, AJ-12582, AS-13425, BBV-39824269, I165, AX8000547, LS-123627, TR-037519, D2364, ST24032553, ST50201802, (E)-3-(2,4-dimethoxy-phenyl)-acrylic acid, (E)-3-(2,4-dimethoxyphenyl)-2-propenoic acid, A836621, 2-Propenoic acid,3-(2,4-dimethoxyphenyl)-,(2E)-, I04-8448, 2-Propenoic acid, 3-(2,4-dimethoxyphenyl)-, (E)-, InChI=1/C11H12O4/c1-14-9-5-3-8(4-6-11(12)13)10(7-9)15-2/h3-7H,1-2H3,(H,12,13)/b6-4, 2,4-dimethoxycinnamicacid, C11H12O4, KST-1A7698, AR-1A2285, AR-1E6044, CID734009, C11-H12-O4, 6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione, 702-69-2, 71671-62-0,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	208.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.213g/mol
Monoisotopic Mass	208.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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