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74833-56-0 | Bicyclo[7.2.0]undec-5-ene-2-acetaldehyde, 6,10,10-trimethyl-
CAS No: 74833-56-0 Catalog No: AG008OU6 MDL No:
Product Description
Catalog Number:
AG008OU6
Chemical Name:
Bicyclo[7.2.0]undec-5-ene-2-acetaldehyde, 6,10,10-trimethyl-
CAS Number:
74833-56-0
Molecular Formula:
C16H26O
Molecular Weight:
234.3770
IUPAC Name:
2-(6,10,10-trimethyl-2-bicyclo[7.2.0]undec-5-enyl)acetaldehyde
InChI:
InChI=1S/C16H26O/c1-12-5-4-6-13(9-10-17)14-11-16(2,3)15(14)8-7-12/h5,10,13-15H,4,6-9,11H2,1-3H3
InChI Key:
FGFOYKDWSTZIQI-UHFFFAOYSA-N
SMILES:
O=CCC1CCC=C(CCC2C1CC2(C)C)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.198g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.383g/mol
Monoisotopic Mass:
234.198g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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