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15138-39-3 | 1,3-Benzenedicarboxaldehyde, 2,4,6-trimethyl-
CAS No: 15138-39-3 Catalog No: AG001NAY MDL No:
Product Description
Catalog Number:
AG001NAY
Chemical Name:
1,3-Benzenedicarboxaldehyde, 2,4,6-trimethyl-
CAS Number:
15138-39-3
Molecular Formula:
C11H12O2
Molecular Weight:
176.2118
IUPAC Name:
2,4,6-trimethylbenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C11H12O2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4-6H,1-3H3
InChI Key:
SVWPDGBKSJAECL-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(c(c1C)C=O)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.215g/mol
Monoisotopic Mass:
176.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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