AG00FFC3

65976-77-4 | Ethyl 2-(3,5-dimethoxyphenyl)acetate

AG00FFC3

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CAS Number	65976-77-4
Catalog Number	AG00FFC3(AGN-PC-00H1UY)
Chemical Name	Ethyl 2-(3,5-dimethoxyphenyl)acetate
IUPAC Name	ethyl 2-(3,5-dimethoxyphenyl)acetate
InChI	InChI=1S/C12H16O4/c1-4-16-12(13)7-9-5-10(14-2)8-11(6-9)15-3/h5-6,8H,4,7H2,1-3H3
InChI Key	LPMABDMACJOZAT-UHFFFAOYSA-N
MDL Number	MFCD11111879
Molecular Formula	C12H16O4
Molecular Weight	224.2530
SMILES	O=C(OCC)CC1=CC(OC)=CC(OC)=C1
Synonyms	Ethyl 2-(3,5-dimethoxyphenyl)acetate, 65976-77-4, ethyl 3,5-dimethoxyphenylacetate, (3,5-dimethoxy-phenyl)-acetic acid ethyl ester, AK112733, (3,5-Dimethoxyphenyl)acetic acid ethyl ester, SCHEMBL1872932, CTK5C3324, DTXSID60474127, LPMABDMACJOZAT-UHFFFAOYSA-N, KS-00000G5Q, 0127AC, ZINC36467627, AKOS016010238, CS-W022642, DS-5767, AJ-92988, DA-41762, SC-60132, SY043382, AX8127968, ST2412891, 4CH-016790, FT-0739369, MFCD11111879 (98%), (3,5-dimethoxyphenyl)-acetic acid ethyl ester, C12H16O4, methyl 2-(3,5-dimethoxyphenyl)acetate, CID11831071,

Complexity	205
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	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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