14002-91-6
4,5,7-TRIMETHYLCOUMARIN
Name
4,5,7-TRIMETHYLCOUMARIN
Formula
C12 H12 O2
MolWeight
188.225
1Identification
【Name】
4,5,7-TRIMETHYLCOUMARIN
【CAS】
【MDL】
MFCD01861448
【English Synonyms】
【Formula】
C12 H12 O2
【MolWeight】
188.225
【Inchi】
InChI=1S/C12H12O2/c1-7-4-8(2)12-9(3)6-11(13)14-10(12)5-7/h4-6H,1-3H3
【InChIKey】
InChIKey=PUBIEFXQKSKEBE-UHFFFAOYSA-N
【SMILES】
Cc1cc(c2c(cc(=O)oc2c1)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,5,7-TRIMETHYLCOUMARIN.cml
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