85691-54-9
METHYL 4-(PYRIDIN-4-YL)BUTANOATE
NameMETHYL 4-(PYRIDIN-4-YL)BUTANOATE
1Identification
【Name】
METHYL 4-(PYRIDIN-4-YL)BUTANOATE
【CAS】
【MDL】
MFCD12827584
【English Synonyms】
【Formula】
C10 H13 N O2
【MolWeight】
179.218
【Inchi】
InChI=1S/C10H13NO2/c1-13-10(12)4-2-3-9-5-7-11-8-6-9/h5-8H,2-4H2,1H3
【InChIKey】
InChIKey=NRICZFYMOLLBHO-UHFFFAOYSA-N
【SMILES】
COC(=O)CCCc1ccncc1
【MOL File】
METHYL 4-(PYRIDIN-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 4-(PYRIDIN-4-YL)BUTANOATE.cml