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Home > Aldehydes > 1228837-05-5
1228837-05-5 | 1-Cyclohexene-1-carboxaldehyde, 2-(4-chlorophenyl)-4,4-dimethyl-
CAS No: 1228837-05-5 Catalog No: AG000JO9 MDL No:MFCD28129706
Product Description
Catalog Number:
AG000JO9
Chemical Name:
1-Cyclohexene-1-carboxaldehyde, 2-(4-chlorophenyl)-4,4-dimethyl-
CAS Number:
1228837-05-5
Molecular Formula:
C15H17ClO
Molecular Weight:
248.7479
MDL Number:
MFCD28129706
IUPAC Name:
2-(4-chlorophenyl)-4,4-dimethylcyclohexene-1-carbaldehyde
InChI:
InChI=1S/C15H17ClO/c1-15(2)8-7-12(10-17)14(9-15)11-3-5-13(16)6-4-11/h3-6,10H,7-9H2,1-2H3
InChI Key:
OOUSVDAPSBFSBR-UHFFFAOYSA-N
SMILES:
O=CC1=C(CC(CC1)(C)C)c1ccc(cc1)Cl
EC Number:
941-921-6
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.75g/mol
Monoisotopic Mass:
248.097g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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