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Home > Aldehydes > 1216683-89-4
1216683-89-4 | 4-Methoxy-2,3,6-trimethylbenzaldehyde-d3
CAS No: 1216683-89-4 Catalog No: AG0015J2 MDL No:
Product Description
Catalog Number:
AG0015J2
Chemical Name:
4-Methoxy-2,3,6-trimethylbenzaldehyde-d3
CAS Number:
1216683-89-4
Molecular Formula:
C11H11D3O2
Molecular Weight:
181.2461
IUPAC Name:
2,3,6-trimethyl-4-(trideuteriomethoxy)benzaldehyde
InChI:
InChI=1S/C11H14O2/c1-7-5-11(13-4)9(3)8(2)10(7)6-12/h5-6H,1-4H3/i4D3
InChI Key:
BTOFIDLWQJCUJG-GKOSEXJESA-N
SMILES:
O=Cc1c(C)cc(c(c1C)C)OC([2H])([2H])[2H]
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.118g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3
Molecular Weight:
181.249g/mol
Monoisotopic Mass:
181.118g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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