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89422-09-3 | 2,5-Methano-2H-indeno[1,2-b]oxirene, octahydro-1a,5-dimethyl-
CAS No: 89422-09-3 Catalog No: AG0043P9 MDL No:
Product Description
Catalog Number:
AG0043P9
Chemical Name:
2,5-Methano-2H-indeno[1,2-b]oxirene, octahydro-1a,5-dimethyl-
CAS Number:
89422-09-3
Molecular Formula:
C12H18O
Molecular Weight:
178.2707
IUPAC Name:
3,8-dimethyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
InChI:
InChI=1S/C12H18O/c1-11-4-3-7(6-11)10-8(11)5-9-12(10,2)13-9/h7-10H,3-6H2,1-2H3
InChI Key:
ZMIMKRWPOZQRKQ-UHFFFAOYSA-N
SMILES:
CC12CCC(C1)C1C2CC2C1(O2)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.275g/mol
Monoisotopic Mass:
178.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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