AG005CYA

73013-51-1 | Ethyl 4-(2-oxopropyl)benzoate

AG005CYA

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	73013-51-1
Catalog Number	AG005CYA(AGN-PC-0U201V)
Chemical Name	Ethyl 4-(2-oxopropyl)benzoate
IUPAC Name	ethyl 4-(2-oxopropyl)benzoate
InChI	InChI=1S/C12H14O3/c1-3-15-12(14)11-6-4-10(5-7-11)8-9(2)13/h4-7H,3,8H2,1-2H3
InChI Key	RJNSZJDYXNBUEF-UHFFFAOYSA-N
MDL Number	MFCD02261282
Molecular Formula	C12H14O3
Molecular Weight	206.2378
SMILES	O=C(OCC)C1=CC=C(CC(C)=O)C=C1
Synonyms	Ethyl 4-(2-oxopropyl)benzoate, 73013-51-1, AK141761, 4-(2-OXO-PROPYL)-BENZOIC ACID ETHYL ESTER, SCHEMBL2235354, CTK5D7239, DTXSID10602812, RJNSZJDYXNBUEF-UHFFFAOYSA-N, ZINC2580262, 8861AE, MFCD02261282, 1-(4-Carboethoxyphenyl)propan-2-one, AKOS016023036, DS-7308, 4-(2-Oxopropyl)benzoic acid ethyl ester, AJ-42874, AX8266128, Benzoic acid,4-(2-oxopropyl)-, ethyl ester, ST24046989, C12H14O3, ACN-028812,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.094g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	206.241g/mol
Monoisotopic Mass	206.094g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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