61453-49-4
4-(HYDROXYMETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
Name4-(HYDROXYMETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
4-(HYDROXYMETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD16620141
【English Synonyms】
【Formula】
C7 H10 N2 O3
【MolWeight】
170.167
【Inchi】
InChI=1S/C7H10N2O3/c1-2-12-7(11)6-5(4-10)3-8-9-6/h3,10H,2,4H2,1H3,(H,8,9)
【InChIKey】
InChIKey=KVCPVHZCXJRNIZ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(c[nH]n1)CO
【MOL File】
4-(HYDROXYMETHYL)-1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(HYDROXYMETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER.cml