AG002O4N

23676-09-7 | Benzoic acid, 4-ethoxy-, ethyl ester

AG002O4N

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CAS Number	23676-09-7
Catalog Number	AG002O4N(AGN-PC-0JLYIQ)
Chemical Name	Benzoic acid, 4-ethoxy-, ethyl ester
EC Number	245-818-0
IUPAC Name	ethyl 4-ethoxybenzoate
InChI	InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3
InChI Key	HRAQMGWTPNOILP-UHFFFAOYSA-N
MDL Number	MFCD00009116
Molecular Formula	C11H14O3
Molecular Weight	194.2271
NSC Number	405367
SMILES	O=C(OCC)C1=CC=C(OCC)C=C1
Synonyms	ethoxy 4-EtOB, ethyl 4-ethoxybenzoate, Ethyl 4-ethoxybenzoate, 23676-09-7, 4-Ethoxybenzoic Acid Ethyl Ester, Benzoic acid, 4-ethoxy-, ethyl ester, 4-Ethoxy ethylbenzoate, MFCD00009116, HRAQMGWTPNOILP-UHFFFAOYSA-N, Benzoic acid, p-ethoxy-, ethyl ester, ethyl-4-ethoxybenzoate, EINECS 245-818-0, 4-ethoxyethylbenzoate, PEEB, NSC 405367, Ethyl p-ethoxybenzoate, p-ethoxy ethyl benzoate, Ethyl-p-Ethoxy Benzoate, AI3-20315, Ethyl para-ethoxybenzoate, AC1L3JJO, ACMC-209g4u, para-Ethyl-Ethoxy Benzoate, SCHEMBL76052, KSC493K6T, Jsp004739, DTXSID6073443, CTK3J3569, 4-ethoxy-benzoic acid ethyl ester, Ethyl 4-ethoxybenzoate, AldrichCPR, KS-00000J4Q, ZINC1598332, ANW-25180, NSC405367, SBB063746, AKOS008948320, DS-4087, NSC-405367, TRA0022181, VZ32141, AC-19626, AJ-27901, AK115342, CJ-05660, CJ-25659, P235, SC-62321, DB-046217, RT-001546, E0524, FT-0618383, ST24030607, ST45026848, I01-2789, W-107387, InChI=1/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H, Ethyl4-etoxybenzoate, Ethyl 4-etoxybenzoate, p-Ethoxybenzoic acid ethyl ester, C11H14O3, CID90232, ACN-050325, C11-H14-O3, Ethyl 4-Ethoxybenzoate, 99% - 25G 25g,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.094g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

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