AG006YP1

21908-08-7 | ETHYL 2-FORMYLISONICOTINATE

AG006YP1

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CAS Number	21908-08-7
Catalog Number	AG006YP1(AGN-PC-02GRO5)
Chemical Name	ETHYL 2-FORMYLISONICOTINATE
IUPAC Name	ethyl 2-formylpyridine-4-carboxylate
InChI	InChI=1S/C9H9NO3/c1-2-13-9(12)7-3-4-10-8(5-7)6-11/h3-6H,2H2,1H3
InChI Key	UWXSUYORWIRRCH-UHFFFAOYSA-N
MDL Number	MFCD13659319
Molecular Formula	C9H9NO3
Molecular Weight	179.1727
SMILES	CCOC(=O)C1=CC(C=O)=NC=C1
Synonyms	Ethyl 2-formylisonicotinate, 21908-08-7, ethyl 2-formylpyridine-4-carboxylate, 2-formylisonicotinic acid ethyl ester, AK100395, 4-Pyridinecarboxylic acid, 2-formyl-, ethyl ester, SCHEMBL5366168, CTK8C3586, DTXSID50598962, UWXSUYORWIRRCH-UHFFFAOYSA-N, BCP23765, KS-000008JW, 1095AB, ANW-70282, MFCD13659319, ZINC82046674, 2-formyl-isonicotinic acid ethyl ester, AKOS016002598, DS-3520, SB21573, SC-89574, AJ-124368, AX8241346, TC-159027, 4CH-002599, CS-0043680, ST24024860, 6-Formylpyridine-4-carboxylic acid ethyl ester, 2-formyl-pyridine-4-carboxylic acid 4-ethyl ester, C9H9NO3,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	179.175g/mol
Monoisotopic Mass	179.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	56.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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