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Home > Aldehydes > 832125-57-2
832125-57-2 | Benzaldehyde, 4-(2-methyl-1,3-butadienyl)-
CAS No: 832125-57-2 Catalog No: AG008IYS MDL No:
Product Description
Catalog Number:
AG008IYS
Chemical Name:
Benzaldehyde, 4-(2-methyl-1,3-butadienyl)-
CAS Number:
832125-57-2
Molecular Formula:
C12H12O
Molecular Weight:
172.2231
IUPAC Name:
4-(2-methylbuta-1,3-dienyl)benzaldehyde
InChI:
InChI=1S/C12H12O/c1-3-10(2)8-11-4-6-12(9-13)7-5-11/h3-9H,1H2,2H3
InChI Key:
GDBGKAIOWKJITD-UHFFFAOYSA-N
SMILES:
C=CC(=Cc1ccc(cc1)C=O)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.089g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.227g/mol
Monoisotopic Mass:
172.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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