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68071-23-8 | 3,3',3',8-tetramethyl-2,3,4,6,7,8-hexahydro-1h-spiro[azulene-5,2'-oxirane]
CAS No: 68071-23-8 Catalog No: AG006G30 MDL No:
Product Description
Catalog Number:
AG006G30
Chemical Name:
3,3',3',8-tetramethyl-2,3,4,6,7,8-hexahydro-1h-spiro[azulene-5,2'-oxirane]
CAS Number:
68071-23-8
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
1,3',3',4-tetramethylspiro[2,3,4,5,6,8-hexahydro-1H-azulene-7,2'-oxirane]
InChI:
InChI=1S/C15H24O/c1-10-5-6-12-11(2)7-8-15(9-13(10)12)14(3,4)16-15/h10-11H,5-9H2,1-4H3
InChI Key:
UNUMEFUKAQEVMS-UHFFFAOYSA-N
SMILES:
CC1CCC2(CC3=C1CCC3C)OC2(C)C
EC Number:
268-340-4
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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