AG008ZAC

104175-24-8 | 2,3-DIMETHYLBENZOIC ACID ETHYL ESTER

AG008ZAC

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CAS Number	104175-24-8
Catalog Number	AG008ZAC(AGN-PC-03PQ4Q)
Chemical Name	2,3-DIMETHYLBENZOIC ACID ETHYL ESTER
IUPAC Name	ethyl 2,3-dimethylbenzoate
InChI	InChI=1S/C11H14O2/c1-4-13-11(12)10-7-5-6-8(2)9(10)3/h5-7H,4H2,1-3H3
InChI Key	YPZCBIBAAUBMLB-UHFFFAOYSA-N
MDL Number	MFCD00017523
Molecular Formula	C11H14O2
Molecular Weight	178.2277
SMILES	O=C(OCC)C1=CC=CC(C)=C1C
Synonyms	ETHYL 2,3-DIMETHYLBENZOATE, 104175-24-8, Benzoic acid, dimethyl-, ethyl ester, 2,3-DIMETHYLBENZOIC ACID ETHYL ESTER, 116164-47-7, ACMC-20dm0x, Ethyl2,3-Dimethylbenzoate, SCHEMBL574192, CTK0C5852, YPZCBIBAAUBMLB-UHFFFAOYSA-N, KS-00000BE2, ZINC2566171, 6675AJ, MFCD00017523, AKOS008947842, TRA0075081, AJ-41248, AS-31647, CJ-09742, SC-24118, SY004804, 603-79-2, Et, DB-013421, TC-308184, FT-0706638, Z-3863, MFCD00017523 (97+%), Z53836949, C11H14O2, 138-24-9,

Complexity	177
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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number