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13586-68-0 | p-tert-butyl-2-methylcinnamaldehyde
CAS No: 13586-68-0 Catalog No: AG009IYW MDL No:
Product Description
Catalog Number:
AG009IYW
Chemical Name:
p-tert-butyl-2-methylcinnamaldehyde
CAS Number:
13586-68-0
IUPAC Name:
(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enal
InChI:
InChI=1S/C14H18O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-10H,1-4H3/b11-9+
InChI Key:
ZZSXZEFWZXSQPX-PKNBQFBNSA-N
EC Number:
237-014-3
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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