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Home > Aldehydes > 1256469-80-3
1256469-80-3 | Benzeneacetaldehyde, 2,3,5,6-tetramethyl-
CAS No: 1256469-80-3 Catalog No: AG000O94 MDL No:
Product Description
Catalog Number:
AG000O94
Chemical Name:
Benzeneacetaldehyde, 2,3,5,6-tetramethyl-
CAS Number:
1256469-80-3
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
2-(2,3,5,6-tetramethylphenyl)acetaldehyde
InChI:
InChI=1S/C12H16O/c1-8-7-9(2)11(4)12(5-6-13)10(8)3/h6-7H,5H2,1-4H3
InChI Key:
CBIKWMRCEGJAAP-UHFFFAOYSA-N
SMILES:
O=CCc1c(C)c(C)cc(c1C)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.259g/mol
Monoisotopic Mass:
176.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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