AG00D1VZ

35005-81-3 | 3-Pyridinecarboxylic acid, 6-(hydroxyMethyl)-, ethyl ester

AG00D1VZ

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CAS Number	35005-81-3
Catalog Number	AG00D1VZ(AGN-PC-003HWH)
Chemical Name	3-Pyridinecarboxylic acid, 6-(hydroxyMethyl)-, ethyl ester
IUPAC Name	ethyl 6-(hydroxymethyl)pyridine-3-carboxylate
InChI	InChI=1S/C9H11NO3/c1-2-13-9(12)7-3-4-8(6-11)10-5-7/h3-5,11H,2,6H2,1H3
InChI Key	RDSGPHNFOMPILP-UHFFFAOYSA-N
MDL Number	MFCD12131130
Molecular Formula	C9H11NO3
Molecular Weight	181.1885
SMILES	OCC1=NC=C(C(=O)OCC)C=C1
Synonyms	Ethyl 6-(hydroxymethyl)nicotinate, 35005-81-3, 6-Hydroxymethyl-nicotinic acid ethyl ester, ethyl 6-(hydroxymethyl)pyridine-3-carboxylate, Ethyl 6-hydroxymethylnicotinate, SCHEMBL2772711, CTK6F6557, DTXSID70567473, RDSGPHNFOMPILP-UHFFFAOYSA-N, KS-00003GX3, ZX-RL004468, 4283AB, ANW-70527, MFCD12131130, SBB089778, ZINC34441475, AKOS015838698, AS-5214, AJ-88569, OR300696, SY232889, AX8241101, DB-014806, TR-072088, FT-0762796, ST24025029, MFCD12131130 (95%), 6-(Hydroxymethyl)pyridine-3-carboxylic acid ethyl ester, F2167-1141, 3-Pyridinecarboxylic acid, 6-(hydroxymethyl)-, ethyl ester, C9H11NO3, Ethyl6-(hydroxymethyl)nicotinate,

Complexity	172
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	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	181.191g/mol
Monoisotopic Mass	181.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P264-P270-P301+P312-P330
UN Code	\N

Certificate of Analysis

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