AG003Q6R

21239-29-2 | ETHYL 3,5-DIMETHYLBENZOATE

AG003Q6R

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CAS Number	21239-29-2
Catalog Number	AG003Q6R(AGN-PC-0JLXOQ)
Chemical Name	ETHYL 3,5-DIMETHYLBENZOATE
EC Number	244-286-7
IUPAC Name	ethyl 3,5-dimethylbenzoate
InChI	InChI=1S/C11H14O2/c1-4-13-11(12)10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3
InChI Key	IHAAVLXHNOZMBC-UHFFFAOYSA-N
MDL Number	MFCD00015440
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	O=C(OCC)C1=CC(C)=CC(C)=C1
Synonyms	Ethyl 3,5-dimethylbenzoate, 21239-29-2, 3,5-Dimethylbenzoic acid ethyl ester, IHAAVLXHNOZMBC-UHFFFAOYSA-N, MFCD00015440, Benzoic acid, 3,5-dimethyl-, ethyl ester, ACMC-1CIPZ, AC1L3GL0, AC1Q64FP, SCHEMBL4859473, CTK4E6181, DTXSID80175482, ALBB-020964, ZINC2560620, EINECS 244-286-7, 3,5-dimethyl-benzoic acid ethyl ester, AKOS004911127, MCULE-8639260068, Benzoic acid,3,5-dimethyl-, ethyl ester, SC-90114, DB-045517, TC-166890, FT-0626011, ST50407873, I14-100257, CID88834, AR-1I8715, ZINC02560620, 21763-37-1,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.099g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.231g/mol
Monoisotopic Mass	178.099g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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