AG00DLFK

43153-12-4 | ETHYL (4-FORMYLPHENYL)ACETATE

AG00DLFK

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CAS Number	43153-12-4
Catalog Number	AG00DLFK(AGN-PC-006IHX)
Chemical Name	ETHYL (4-FORMYLPHENYL)ACETATE
IUPAC Name	ethyl 2-(4-formylphenyl)acetate
InChI	InChI=1S/C11H12O3/c1-2-14-11(13)7-9-3-5-10(8-12)6-4-9/h3-6,8H,2,7H2,1H3
InChI Key	RZKOHSYWTLEMBY-UHFFFAOYSA-N
MDL Number	MFCD15523550
Molecular Formula	C11H12O3
Molecular Weight	192.2112
SMILES	O=C(OCC)CC1=CC=C(C=O)C=C1
Synonyms	Ethyl 2-(4-formylphenyl)acetate, 43153-12-4, ethyl (4-formylphenyl)acetate, ethyl p-formylphenylacetate, SCHEMBL1803272, RZKOHSYWTLEMBY-UHFFFAOYSA-N, MFCD15523550, ZINC75580685, 4-Formylbenzeneacetic acid ethyl ester, AKOS025287144, DS-9437, (4-Formylphenyl)acetic acid ethyl ester, (4-Formylphenyl)-acetic acid ethyl ester, AK167210, DA-05892, SC-57329, Benzeneacetic acid, 4-formyl-, ethyl ester, FT-0719555, BENZENEACETIC ACID,4-FORMYL-,ETHYL ESTER, CID11310039,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.214g/mol
Monoisotopic Mass	192.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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