AG003Q85

40061-55-0 | Ethyl 2-(M-Tolyl)Acetate

AG003Q85

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CAS Number	40061-55-0
Catalog Number	AG003Q85(AGN-PC-0JM1ZL)
Chemical Name	Ethyl 2-(M-Tolyl)Acetate
EC Number	254-778-3
IUPAC Name	ethyl 2-(3-methylphenyl)acetate
InChI	InChI=1S/C11H14O2/c1-3-13-11(12)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
InChI Key	RVIWPVAVHHVQIR-UHFFFAOYSA-N
MDL Number	MFCD00017273
Molecular Formula	C11H14O2
Molecular Weight	178.2277
NSC Number	80677
SMILES	O=C(OCC)CC1=CC=CC(C)=C1
Synonyms	Ethyl m-tolylacetate, 40061-55-0, Ethyl 2-(m-tolyl)acetate, Ethyl meta-tolylacetate, ethyl 2-(3-methylphenyl)acetate, Ethyl 3-Methylphenylacetate, m-Tolylacetic acid ethyl ester, Benzeneacetic acid, 3-methyl-, ethyl ester, Ethyl m-methylphenylacetate, RVIWPVAVHHVQIR-UHFFFAOYSA-N, 3-Methylphenylacetic acid ethyl ester, Ethylm-Tolylacetate, EINECS 254-778-3, Ethyl 3-tolyacetate, Ethyl-m-tolylacetate, ethyl 2-m-tolylacetate, ACMC-1AMAH, ethyl-3-methylphenylacetate, AC1L3WR9, Ethyl 3-methylbenzeneacetate, Ethyl m-tolylacetate, 98%, Ethyl (3-methylphenyl)acetate, SCHEMBL1107143, m-Tolyl acetic acid ethyl ester, m-tolyl-acetic acid ethyl ester, CTK4I2356, RVIWPVAVHHVQIR-UHFFFAOYSA-, DTXSID20193125, Ethyl (3-methylphenyl)acetate #, ZINC404412, AC1Q6536, NSC80677, ANW-29264, CCG-40375, MFCD00017273, NSC-80677, AKOS009158927, MCULE-2799969317, NE20141, [3-methylphenyl]acetic acid ethyl ester, KS-000013E0, AJ-22372, Benzeneacetic acid,3-methyl-, ethyl ester, TC-118009, FT-0629021, ST50405443, EN300-82891, I14-54308, Z1032253744, InChI=1/C11H14O2/c1-3-13-11(12)8-10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3, Ethyl3-methylphenylacetate, CID96574, AR-1I9788, C11-H14-O2, T1226, 422-59-3,

Complexity	166
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	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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