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92421-47-1 | 2,4,5-trimethoxy-3,6-dimethylbenzaldehyde
CAS No: 92421-47-1 Catalog No: AG01DKAV MDL No:MFCD27933053
Product Description
Catalog Number:
AG01DKAV
Chemical Name:
2,4,5-trimethoxy-3,6-dimethylbenzaldehyde
CAS Number:
92421-47-1
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
MDL Number:
MFCD27933053
IUPAC Name:
2,4,5-trimethoxy-3,6-dimethylbenzaldehyde
InChI:
InChI=1S/C12H16O4/c1-7-9(6-13)10(14-3)8(2)12(16-5)11(7)15-4/h6H,1-5H3
InChI Key:
CKQVIVNVLKSGMC-UHFFFAOYSA-N
SMILES:
COc1c(C)c(C=O)c(c(c1OC)C)OC
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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