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3-[(5-Methyl-3-Nitro-1H-Pyrazol-1-Yl)Methyl]Benzoic Acid
[CAS# 491831-82-4]

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Identification
Name 3-[(5-Methyl-3-Nitro-1H-Pyrazol-1-Yl)Methyl]Benzoic Acid
Synonyms 3-(5-Methyl-3-nitro-pyrazol-1-ylmethyl)-benzoic acid; 3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid; 3-[(5-methyl-3-nitropyrazolyl)methyl]benzoic acid
Molecular Structure CAS#: 491831-82-4, 3-[(5-Methyl-3-Nitro-1H-Pyrazol-1-Yl)Methyl]Benzoic Acid
Molecular Formula C12H11N3O4
Molecular Weight 261.23
CAS Registry Number 491831-82-4
SMILES [O-][N+](=O)c1nn(c(c1)C)Cc2cccc(C(=O)O)c2
InChI 1S/C12H11N3O4/c1-8-5-11(15(18)19)13-14(8)7-9-3-2-4-10(6-9)12(16)17/h2-6H,7H2,1H3,(H,16,17)
InChIKey IDBOQHVHOATSKD-UHFFFAOYSA-N
Properties
Density 1.425g/cm3 (Cal.)
Boiling point 518.762°C at 760 mmHg (Cal.)
Flash point 267.538°C (Cal.)
Refractive index 1.651 (Cal.)
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List of Reports Available for 3-[(5-Methyl-3-Nitro-1H-Pyrazol-1-Yl)Methyl]Benzoic Acid
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