AG003Q2R

36596-67-5 | Ethyl 2,6-dimethylbenzoate

AG003Q2R

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CAS Number	36596-67-5
Catalog Number	AG003Q2R(AGN-PC-0JS9OG)
Chemical Name	Ethyl 2,6-dimethylbenzoate
IUPAC Name	ethyl 2,6-dimethylbenzoate
InChI	InChI=1S/C11H14O2/c1-4-13-11(12)10-8(2)6-5-7-9(10)3/h5-7H,4H2,1-3H3
InChI Key	NBBSIMLSNFENNF-UHFFFAOYSA-N
MDL Number	MFCD00051785
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	O=C(OCC)C1=C(C)C=CC=C1C
Synonyms	Ethyl 2,6-dimethylbenzoate, 36596-67-5, 2,6-Dimethylbenzoic acid ethyl ester, NBBSIMLSNFENNF-UHFFFAOYSA-N, MFCD00051785, ACMC-1AJEM, AC1LAUQ4, SCHEMBL570471, CTK4H6875, DTXSID90334462, KS-00003T9Z, ZINC2510127, 2,6-dimethyl benzoic acid ethyl ester, AKOS024437843, MCULE-8954326322, TS-02483, Benzoic acid, 2,6-dimethyl-, ethyl ester, DB-048978, TC-166936, FT-0625898, ST50407968, X3789, I14-100364, ETHYL2,6-DIMETHYLBENZOATE, C11H14O2, CID520807, ZINC02510127,

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

Lot Number