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100764-57-6 | 2-Butenal, 2-methyl-4-phenyl-, (2Z)-
CAS No: 100764-57-6 Catalog No: AG0002UG MDL No:
Product Description
Catalog Number:
AG0002UG
Chemical Name:
2-Butenal, 2-methyl-4-phenyl-, (2Z)-
CAS Number:
100764-57-6
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
2-methyl-4-phenylbut-2-enal
InChI:
InChI=1S/C11H12O/c1-10(9-12)7-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChI Key:
UPZUHVQOHDXNAZ-UHFFFAOYSA-N
SMILES:
O=C/C(=C\Cc1ccccc1)/C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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