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83476-93-1 | Benzaldehyde, 2-(4-methyl-3-pentenyl)-
CAS No: 83476-93-1 Catalog No: AG004RD8 MDL No:
Product Description
Catalog Number:
AG004RD8
Chemical Name:
Benzaldehyde, 2-(4-methyl-3-pentenyl)-
CAS Number:
83476-93-1
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
2-(4-methylpent-3-enyl)benzaldehyde
InChI:
InChI=1S/C13H16O/c1-11(2)6-5-9-12-7-3-4-8-13(12)10-14/h3-4,6-8,10H,5,9H2,1-2H3
InChI Key:
BDCPAKYMGPKHIX-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1CCC=C(C)C
Properties
Complexity:
201
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:
0
XLogP3:
3.6
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