5780-00-7
6-METHOXY-1,3-BENZODIOXOLE-5-CARBALDEHYDE
Name
6-METHOXY-1,3-BENZODIOXOLE-5-CARBALDEHYDE
Formula
C9 H8 O4
MolWeight
180.158
1Identification
【Name】
6-METHOXY-1,3-BENZODIOXOLE-5-CARBALDEHYDE
【CAS】
【MDL】
MFCD00598413
【English Synonyms】
【Formula】
C9 H8 O4
【MolWeight】
180.158
【Inchi】
InChI=1S/C9H8O4/c1-11-7-3-9-8(12-5-13-9)2-6(7)4-10/h2-4H,5H2,1H3
【InChIKey】
InChIKey=NCIYDDIPUGCVKX-UHFFFAOYSA-N
【SMILES】
COc1cc2c(cc1C=O)OCO2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
6-METHOXY-1,3-BENZODIOXOLE-5-CARBALDEHYDE.cml
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