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86265-01-2 | Bicyclo[3.1.0]hexane-3-carboxaldehyde,4-methyl-1-(1-methylethyl)-
CAS No: 86265-01-2 Catalog No: AG004MTW MDL No:
Product Description
Catalog Number:
AG004MTW
Chemical Name:
Bicyclo[3.1.0]hexane-3-carboxaldehyde,4-methyl-1-(1-methylethyl)-
CAS Number:
86265-01-2
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane-3-carbaldehyde
InChI:
InChI=1S/C11H18O/c1-7(2)11-4-9(6-12)8(3)10(11)5-11/h6-10H,4-5H2,1-3H3
InChI Key:
CYFPFOYKFRTYFE-UHFFFAOYSA-N
SMILES:
O=CC1CC2(C(C1C)C2)C(C)C
EC Number:
289-217-1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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