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80586-96-5 | Benzenepropanal, b-ethenyl-a,b-dimethyl-
CAS No: 80586-96-5 Catalog No: AG0052FT MDL No:
Product Description
Catalog Number:
AG0052FT
Chemical Name:
Benzenepropanal, b-ethenyl-a,b-dimethyl-
CAS Number:
80586-96-5
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
2,3-dimethyl-3-phenylpent-4-enal
InChI:
InChI=1S/C13H16O/c1-4-13(3,11(2)10-14)12-8-6-5-7-9-12/h4-11H,1H2,2-3H3
InChI Key:
YDYNMTASSRDILL-UHFFFAOYSA-N
SMILES:
C=CC(c1ccccc1)(C(C=O)C)C
Properties
Complexity:
203
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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