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548-51-6
2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID
Name
2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID
Formula
C11 H14 O3
MolWeight
194.229
1Identification
【Name】
2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID
【CAS】
【MDL】
MFCD00020270
【English Synonyms】
【Formula】
C11 H14 O3
【MolWeight】
194.229
【Inchi】
InChI=1S/C11H14O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3,(H,13,14)
【InChIKey】
InChIKey=FNWNGQGTFICQJU-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1C(=O)O)O)C(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
2-HYDROXY-3-ISOPROPYL-6-METHYLBENZOIC ACID.cml
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