1738-50-7
2-(5-METHYL-TETRAZOL-1-YL)-3-PHENYL-ACRYLIC ACID
Name2-(5-METHYL-TETRAZOL-1-YL)-3-PHENYL-ACRYLIC ACID
1Identification
【Name】
2-(5-METHYL-TETRAZOL-1-YL)-3-PHENYL-ACRYLIC ACID
【CAS】
【MDL】
MFCD03987246
【English Synonyms】
【Formula】
C11 H10 N4 O2
【MolWeight】
230.226
【Inchi】
InChI=1S/C11H10N4O2/c1-8-12-13-14-15(8)10(11(16)17)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)/b10-7-
【InChIKey】
InChIKey=PTBNDKSHTBGKBT-YFHOEESVSA-N
【SMILES】
Cc1nnnn1/C(=C\c2ccccc2)/C(=O)O
【MOL File】
2-(5-METHYL-TETRAZOL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(5-METHYL-TETRAZOL-1-YL)-3-PHENYL-ACRYLIC ACID.cml