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660820-44-0 | BENZALDEHYDE, 2-(2-METHYL-2-PROPENYL)-
CAS No: 660820-44-0 Catalog No: AG006K6J MDL No:
Product Description
Catalog Number:
AG006K6J
Chemical Name:
BENZALDEHYDE, 2-(2-METHYL-2-PROPENYL)-
CAS Number:
660820-44-0
Molecular Formula:
C11H12O
Molecular Weight:
160.2124
IUPAC Name:
2-(2-methylprop-2-enyl)benzaldehyde
InChI:
InChI=1S/C11H12O/c1-9(2)7-10-5-3-4-6-11(10)8-12/h3-6,8H,1,7H2,2H3
InChI Key:
MINFNPHEEYQZPH-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1CC(=C)C
Properties
Complexity:
172
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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