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832713-00-5 | 2-Pentenal, 3-methyl-5-(2-methylphenyl)-, (2E)-
CAS No: 832713-00-5 Catalog No: AG004YCI MDL No:
Product Description
Catalog Number:
AG004YCI
Chemical Name:
2-Pentenal, 3-methyl-5-(2-methylphenyl)-, (2E)-
CAS Number:
832713-00-5
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
3-methyl-5-(2-methylphenyl)pent-2-enal
InChI:
InChI=1S/C13H16O/c1-11(9-10-14)7-8-13-6-4-3-5-12(13)2/h3-6,9-10H,7-8H2,1-2H3
InChI Key:
XOUFRJSKYNJBET-UHFFFAOYSA-N
SMILES:
O=C/C=C(/CCc1ccccc1C)\C
Properties
Complexity:
205
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:
3.4
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