562803-68-3
3-(1H-PYRAZOL-1-YLMETHYL)BENZOIC ACID
Name
3-(1H-PYRAZOL-1-YLMETHYL)BENZOIC ACID
Formula
C11 H10 N2 O2
MolWeight
202.212
1Identification
【Name】
3-(1H-PYRAZOL-1-YLMETHYL)BENZOIC ACID
【CAS】
【MDL】
MFCD02253844
【English Synonyms】
【Formula】
C11 H10 N2 O2
【MolWeight】
202.212
【Inchi】
InChI=1S/C11H10N2O2/c14-11(15)10-4-1-3-9(7-10)8-13-6-2-5-12-13/h1-7H,8H2,(H,14,15)
【InChIKey】
InChIKey=UMYNAPRDOSIHOY-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(=O)O)Cn2cccn2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(1H-PYRAZOL-1-YLMETHYL)BENZOIC ACID.cml
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