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887976-52-5
6-(2,5-DIMETHYLPHENYL)NICOTINIC ACID
Name
6-(2,5-DIMETHYLPHENYL)NICOTINIC ACID
Formula
C14 H13 N O2
MolWeight
227.262
1Identification
【Name】
6-(2,5-DIMETHYLPHENYL)NICOTINIC ACID
【CAS】
【MDL】
MFCD06410419
【English Synonyms】
【Formula】
C14 H13 N O2
【MolWeight】
227.262
【Inchi】
InChI=1S/C14H13NO2/c1-9-3-4-10(2)12(7-9)13-6-5-11(8-15-13)14(16)17/h3-8H,1-2H3,(H,16,17)
【InChIKey】
InChIKey=AZNCKOQGISVNFD-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)c2ccc(cn2)C(=O)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
6-(2,5-DIMETHYLPHENYL)NICOTINIC ACID.cml
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