AG002282

18066-68-7 | Benzeneacetic acid, 3,4-dimethoxy-, ethyl ester

AG002282

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CAS Number	18066-68-7
Catalog Number	AG002282(AGN-PC-0JLWSL)
Chemical Name	Benzeneacetic acid, 3,4-dimethoxy-, ethyl ester
EC Number	241-974-9
IUPAC Name	ethyl 2-(3,4-dimethoxyphenyl)acetate
InChI	InChI=1S/C12H16O4/c1-4-16-12(13)8-9-5-6-10(14-2)11(7-9)15-3/h5-7H,4,8H2,1-3H3
InChI Key	WZKCZNJTDZCNMH-UHFFFAOYSA-N
MDL Number	MFCD00017272
Molecular Formula	C12H16O4
Molecular Weight	224.2530
NSC Number	10152
SMILES	CCOC(=O)CC1=CC(OC)=C(OC)C=C1
UNII	BM6F9NYZ3E
Synonyms	18066-68-7, ethyl 2-(3,4-dimethoxyphenyl)acetate, Ethyl 3,4-dimethoxyphenylacetate, Homoveratric acid, ethyl ester, 3,4-Dimethoxyphenylacetic acid ethyl ester, Ethyl dimethoxyphenylacetate, Benzeneacetic acid, 3,4-dimethoxy-, ethyl ester, Ethyl 3,4-dimethoxyphenyl acetate, UNII-BM6F9NYZ3E, BM6F9NYZ3E, WZKCZNJTDZCNMH-UHFFFAOYSA-N, Acetic acid, (3,4-dimethoxyphenyl)-, ethyl ester, C12H16O4, ethyl (3,4-dimethoxyphenyl)acetate, MFCD00017272, Ethyl homoveratrate, EINECS 241-974-9, NSC 10152, AI3-32260, ACMC-1C5LS, AC1L3DN6, homoveratric acid ethyl ester, SCHEMBL908271, DTXSID7066306, CTK4D7680, KUC108676N, ZINC164408, NSC10152, ANW-58210, BBL012276, ethyl2-(3,4-dimethoxyphenyl)acetate, NSC-10152, SBB096649, STL163590, AKOS000120524, MCULE-9207369918, NE10779, PS-4569, VZ32076, ethyl 2-(3,4-dimethoxyphenyl)ethanoate, KS-00002A80, AJ-16141, AK-86927, KSC-11-254-1, ZB008129, DB-012970, ST2412890, TL8001443, TX-017575, Benzeneacetic acid,4-dimethoxy-, ethyl ester, FT-0614350, ST50406917, Acetic acid,4-dimethoxyphenyl)-, ethyl ester, Benzeneacetic acid,3,4-dimethoxy-, ethyl ester, (3,4-dimethoxy-phenyl)-acetic acid ethyl ester, 2-(3,4-dimethoxyphenyl)acetic acid ethyl ester, A812556, I14-10534, F0001-0655, CID87441, C12-H16-O4,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.105g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	224.256g/mol
Monoisotopic Mass	224.105g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number