AG002O6D

23699-62-9 | 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 5-ethoxy-, ethyl ester

AG002O6D

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CAS Number	23699-62-9
Catalog Number	AG002O6D(AGN-PC-0WAD7I)
Chemical Name	1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 5-ethoxy-, ethyl ester
IUPAC Name	ethyl 5-ethoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
InChI	InChI=1S/C12H14N2O3/c1-3-16-11-6-5-8-9(14-11)7-10(13-8)12(15)17-4-2/h5-7,13H,3-4H2,1-2H3
InChI Key	QHBMXBYQIXXILX-UHFFFAOYSA-N
MDL Number	MFCD25292792
Molecular Formula	C12H14N2O3
Molecular Weight	234.2512
SMILES	O=C(C1=CC2=NC(OCC)=CC=C2N1)OCC
Synonyms	Ethyl 5-Ethoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylate, 23699-62-9, KS-00000BRN, 6794AJ, MFCD25292792, ZINC95725463, AKOS025404382, TRA0086762, AS-32593, SY024614, Z-3520, MFCD25292792 (95+%), Ethyl5-Ethoxy-1H-pyrrolo[3,2-b]pyridine-2-carboxylate, 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 5-ethoxy-, ethyl ester, C12H14N2O3,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.1g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.255g/mol
Monoisotopic Mass	234.1g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	64.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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