AG00DI2R

55314-29-9 | Ethyl 4-methylnicotinate

AG00DI2R

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CAS Number	55314-29-9
Catalog Number	AG00DI2R(AGN-PC-0JQTCF)
Chemical Name	Ethyl 4-methylnicotinate
IUPAC Name	ethyl 4-methylpyridine-3-carboxylate
InChI	InChI=1S/C9H11NO2/c1-3-12-9(11)8-6-10-5-4-7(8)2/h4-6H,3H2,1-2H3
InChI Key	ZDXGKCWPISPQIQ-UHFFFAOYSA-N
MDL Number	MFCD10699557
Molecular Formula	C9H11NO2
Molecular Weight	165.1891
SMILES	O=C(OCC)C1=CN=CC=C1C
Synonyms	ethyl 4-methylnicotinate, 55314-29-9, 3-PYRIDINECARBOXYLIC ACID, 4-METHYL-, ETHYL ESTER, ethyl 4-methylpyridine-3-carboxylate, ethyl-4-methylnicotinoate, SCHEMBL907851, CHEMBL489496, ZDXGKCWPISPQIQ-UHFFFAOYSA-N, ZINC1595756, AKOS006305594, AB62589, AM806282, AS-58277, SC-22986, DB-119214, FT-0660789, 4-Methylpyridine-3-carboxylic acid ethyl ester, 4-methyl-pyridine-3-carboxylic acid ethyl ester, AC1L8X9C, ETHYL4-METHYLNICOTINATE, NSC22598, CID409602, AJ-27826, 3-(1-ETHOXYVINYL)-4-METHYLPYRIDINE, 6316-72-9,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.078979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	165.19g/mol
Monoisotopic Mass	165.078979g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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