AG00APY9

169376-35-6 | ETHYL-2-PYRROLOYL-ACETATE

AG00APY9

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CAS Number	169376-35-6
Catalog Number	AG00APY9(AGN-PC-0Q9G9P)
Chemical Name	ETHYL-2-PYRROLOYL-ACETATE
IUPAC Name	ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate
InChI	InChI=1S/C9H11NO3/c1-2-13-9(12)6-8(11)7-4-3-5-10-7/h3-5,10H,2,6H2,1H3
InChI Key	GPNOESMCLCQOBG-UHFFFAOYSA-N
MDL Number	MFCD05863374
Molecular Formula	C9H11NO3
Molecular Weight	181.1885
NSC Number	81357
SMILES	O=C(OCC)CC(C1=CC=CN1)=O
Synonyms	ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate, 169376-35-6, ETHYL-2-PYRROLOYL-ACETATE, NSC81357, AC1L5SWX, SCHEMBL5160927, CTK4D3281, DTXSID60292287, ZINC337653, MFCD05863374, NSC-81357, AKOS006295737, AJ-19863, AK-62784, ZB010873, 1H-Pyrrole-2-propanoicacid, b-oxo-, ethyl ester, Z2418194216, CID255665,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.191g/mol
Monoisotopic Mass	181.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	59.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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