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4791-70-2 | Octahydro-4,7-methano-1H-indene-5-carbaldehyde
CAS No: 4791-70-2 Catalog No: AG006YF2 MDL No:
Product Description
Catalog Number:
AG006YF2
Chemical Name:
Octahydro-4,7-methano-1H-indene-5-carbaldehyde
CAS Number:
4791-70-2
Molecular Formula:
C11H16O
Molecular Weight:
164.2441
IUPAC Name:
tricyclo[5.2.1.02,6]decane-8-carbaldehyde
InChI:
InChI=1S/C11H16O/c12-6-8-4-7-5-11(8)10-3-1-2-9(7)10/h6-11H,1-5H2
InChI Key:
GYCQGFPKRVWXQT-UHFFFAOYSA-N
SMILES:
O=CC1CC2CC1C1C2CCC1
EC Number:
225-340-9
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.12g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.248g/mol
Monoisotopic Mass:
164.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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