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260352-12-3 | 4-Pentenal, 2,2-dimethyl-5-phenyl-, (4E)-
CAS No: 260352-12-3 Catalog No: AG002RFH MDL No:
Product Description
Catalog Number:
AG002RFH
Chemical Name:
4-Pentenal, 2,2-dimethyl-5-phenyl-, (4E)-
CAS Number:
260352-12-3
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
2,2-dimethyl-5-phenylpent-4-enal
InChI:
InChI=1S/C13H16O/c1-13(2,11-14)10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3
InChI Key:
ZQNBCNJBAWIUKC-UHFFFAOYSA-N
SMILES:
O=CC(C/C=C/c1ccccc1)(C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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