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68804-33-1 | 3,7,7-Trimethylbicyclo(4.1.0)heptane-2-carbaldehyde
CAS No: 68804-33-1 Catalog No: AG006H56 MDL No:
Product Description
Catalog Number:
AG006H56
Chemical Name:
3,7,7-Trimethylbicyclo(4.1.0)heptane-2-carbaldehyde
CAS Number:
68804-33-1
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
3,7,7-trimethylbicyclo[4.1.0]heptane-2-carbaldehyde
InChI:
InChI=1S/C11H18O/c1-7-4-5-9-10(8(7)6-12)11(9,2)3/h6-10H,4-5H2,1-3H3
InChI Key:
WUFJEAHVTVBYPF-UHFFFAOYSA-N
SMILES:
O=CC1C(C)CCC2C1C2(C)C
EC Number:
272-323-7
Properties
Complexity:
207
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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