AG003Q6K

4687-37-0 | Ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate

AG003Q6K

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CAS Number	4687-37-0
Catalog Number	AG003Q6K(AGN-PC-0RUP3E)
Chemical Name	Ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate
IUPAC Name	ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate
InChI	InChI=1S/C13H16O5/c1-4-18-13(15)8-10(14)9-5-6-11(16-2)12(7-9)17-3/h5-7H,4,8H2,1-3H3
InChI Key	BHSYONGONOKNAI-UHFFFAOYSA-N
MDL Number	MFCD03424826
Molecular Formula	C13H16O5
Molecular Weight	252.2631
SMILES	CCOC(=O)CC(=O)C1=CC(OC)=C(OC)C=C1
Synonyms	ethyl 3-(3,4-dimethoxyphenyl)-3-oxopropanoate, 4687-37-0, Ethyl 3,4-dimethoxybenzoylacetate, AK-81645, 3-(3,4-Dimethoxyphenyl)-3-oxo-propionic acidethyl ester, ethyl veratroylacetate, PubChem20623, AC1MBY7Z, ACMC-1AL83, SCHEMBL2848397, CTK4I9616, KS-00000JQB, DTXSID20374336, ethyl-3,4-dimethoxybenzoylacetate, BHSYONGONOKNAI-UHFFFAOYSA-N, ZINC2575924, AM1020, ANW-58439, MFCD03424826, AKOS009258914, AC-7781, ACM4687370, AN-8659, CS-W020068, ethyl 2-(3,4-dimethoxybenzoyl)-acetate, Ethyl 3,4-dimethoxybenzoylacetate, 97%, AJ-42458, DS-16407, SC-83913, 3,4-Dimethoxybenzoylacetic acid ethyl ester, AB1008008, AX8002287, BC4172498, DB-070763, ST2406908, TC-147184, 4CH-017393, FT-0720800, Ethyl 3-oxo-3-(3,4-dimethoxyphenyl)propanoate, ethyl 3-(3,4-dimethoxyphenyl)-3-oxo-propanoate, ethyl 3-(3',4'-dimethoxyphenyl)-3-oxopropanoate, I01-9105, Benzenepropanoicacid, 3,4-dimethoxy-b-oxo-, ethyl ester, Benzenepropanoic acid, 3,4-dimethoxy-beta-oxo-, ethyl ester, 3-(3,4-DIMETHOXY-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER, null, ZINC02575924, CID2758465, 3- -3-OXO-PROPIONICACIDETHYLESTER,

Complexity	289
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.1g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	252.266g/mol
Monoisotopic Mass	252.1g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	61.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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