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27843-11-4 | Benzeneacetaldehyde, 2,6-dimethyl-
CAS No: 27843-11-4 Catalog No: AG002UWT MDL No:
Product Description
Catalog Number:
AG002UWT
Chemical Name:
Benzeneacetaldehyde, 2,6-dimethyl-
CAS Number:
27843-11-4
Molecular Formula:
C10H12O
Molecular Weight:
148.2017
IUPAC Name:
2-(2,6-dimethylphenyl)acetaldehyde
InChI:
InChI=1S/C10H12O/c1-8-4-3-5-9(2)10(8)6-7-11/h3-5,7H,6H2,1-2H3
InChI Key:
VUEHAUDFVQWQKM-UHFFFAOYSA-N
SMILES:
O=CCc1c(C)cccc1C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.205g/mol
Monoisotopic Mass:
148.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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