906352-85-0
3-(1-METHYL-1H-PYRAZOL-3-YL)BENZOIC ACID
Name
3-(1-METHYL-1H-PYRAZOL-3-YL)BENZOIC ACID
Formula
C11 H10 N2 O2
MolWeight
202.212
1Identification
【Name】
3-(1-METHYL-1H-PYRAZOL-3-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD09065006
【English Synonyms】
【Formula】
C11 H10 N2 O2
【MolWeight】
202.212
【Inchi】
InChI=1S/C11H10N2O2/c1-13-6-5-10(12-13)8-3-2-4-9(7-8)11(14)15/h2-7H,1H3,(H,14,15)
【InChIKey】
InChIKey=NQPMBEUYTBLTAG-UHFFFAOYSA-N
【SMILES】
Cn1ccc(n1)c2cccc(c2)C(=O)O
【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-(1-METHYL-1H-PYRAZOL-3-YL)BENZOIC ACID.cml
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Alfa Chemistry
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