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92028-57-4
2-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOIC ACID
Name
2-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOIC ACID
Formula
C13 H13 N O2
MolWeight
215.251
1Identification
【Name】
2-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD01125264
【English Synonyms】
【Formula】
C13 H13 N O2
【MolWeight】
215.251
【Inchi】
InChI=1S/C13H13NO2/c1-9-7-8-10(2)14(9)12-6-4-3-5-11(12)13(15)16/h3-8H,1-2H3,(H,15,16)
【InChIKey】
InChIKey=ZLYUUANOICYAAL-UHFFFAOYSA-N
【SMILES】
Cc1ccc(n1c2ccccc2C(=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)
Oakwood Products, Inc. :2-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOIC ACID
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
2-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOIC ACID.cml
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Catalog No:92028-57-4 up to kgs
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Aroma Circle Corp.
Catalog No:AC21733 1G
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