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84434-23-1 | (E)-3-(4-(tert-Butyl)phenyl)acrylaldehyde
CAS No: 84434-23-1 Catalog No: AG008I7P MDL No:
Product Description
Catalog Number:
AG008I7P
Chemical Name:
(E)-3-(4-(tert-Butyl)phenyl)acrylaldehyde
CAS Number:
84434-23-1
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
(E)-3-(4-tert-butylphenyl)prop-2-enal
InChI:
InChI=1S/C13H16O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h4-10H,1-3H3/b5-4+
InChI Key:
ICSATJUWLAEQQU-SNAWJCMRSA-N
SMILES:
O=C/C=C/c1ccc(cc1)C(C)(C)C
EC Number:
282-823-7
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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