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Home > Aldehydes > 145589-31-7
145589-31-7 | Benzaldehyde, 4-(2-methyl-1-propen-1-yl)-
CAS No: 145589-31-7 Catalog No: AG001D7G MDL No:
Product Description
Catalog Number:
AG001D7G
Chemical Name:
Benzaldehyde, 4-(2-methyl-1-propen-1-yl)-
CAS Number:
145589-31-7
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
4-(2-methylprop-1-enyl)benzaldehyde
InChI:
InChI=1S/C11H12O/c1-9(2)7-10-3-5-11(8-12)6-4-10/h3-8H,1-2H3
InChI Key:
GQNXCSYVMKYYAF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C=C(C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.216g/mol
Monoisotopic Mass:
160.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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