519178-40-6
1(4H)-PYRIDINECARBOXYLIC ACID, 3-FORMYL-4-METHYL-, METHYL ESTER
Name1(4H)-PYRIDINECARBOXYLIC ACID, 3-FORMYL-4-METHYL-, METHYL ESTER
1Identification
【Name】
1(4H)-PYRIDINECARBOXYLIC ACID, 3-FORMYL-4-METHYL-, METHYL ESTER
【CAS】
【MDL】
MFCD18833961
【English Synonyms】
【Formula】
C9 H11 N O3
【MolWeight】
181.19
【Inchi】
InChI=1S/C9H11NO3/c1-7-3-4-10(9(12)13-2)5-8(7)6-11/h3-7H,1-2H3
【InChIKey】
InChIKey=BRGXUUYMDBQRTI-UHFFFAOYSA-N
【SMILES】
CC1C=CN(C=C1C=O)C(=O)OC
【MOL File】
1(4H)-PYRIDINECARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1(4H)-PYRIDINECARBOXYLIC ACID, 3-FORMYL-4-METHYL-, METHYL ESTER.cml