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84963-31-5 | 7-ISOPROPYL-5-METHYLBICYCLO[2.2.2]OCTANE-2-CARBALDEHYDE
CAS No: 84963-31-5 Catalog No: AG0052F1 MDL No:
Product Description
Catalog Number:
AG0052F1
Chemical Name:
7-ISOPROPYL-5-METHYLBICYCLO[2.2.2]OCTANE-2-CARBALDEHYDE
CAS Number:
84963-31-5
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
5-methyl-7-propan-2-ylbicyclo[2.2.2]octane-2-carbaldehyde
InChI:
InChI=1S/C13H22O/c1-8(2)12-6-10-5-11(7-14)13(12)4-9(10)3/h7-13H,4-6H2,1-3H3
InChI Key:
DFYLIPCZGDCPEB-UHFFFAOYSA-N
SMILES:
O=CC1CC2CC(C1CC2C)C(C)C
EC Number:
284-833-7
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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