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66949-23-3 | Benzaldehyde, 5-(1,1-dimethylethyl)-2-methyl-
CAS No: 66949-23-3 Catalog No: AG006NDQ MDL No:
Product Description
Catalog Number:
AG006NDQ
Chemical Name:
Benzaldehyde, 5-(1,1-dimethylethyl)-2-methyl-
CAS Number:
66949-23-3
Molecular Formula:
C12H16O
Molecular Weight:
176.2548
IUPAC Name:
5-tert-butyl-2-methylbenzaldehyde
InChI:
InChI=1S/C12H16O/c1-9-5-6-11(12(2,3)4)7-10(9)8-13/h5-8H,1-4H3
InChI Key:
SEVJAYNZOOWZBT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1C)C(C)(C)C
Properties
Complexity:
178
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:
3.4
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