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Home > Other Heterocycles > 827024-54-4
827024-54-4 | Bicyclo[3.1.0]hexane, 4-ethoxy-4-methyl-1-(1-methylethyl)-
CAS No: 827024-54-4 Catalog No: AG0051OP MDL No:
Product Description
Catalog Number:
AG0051OP
Chemical Name:
Bicyclo[3.1.0]hexane, 4-ethoxy-4-methyl-1-(1-methylethyl)-
CAS Number:
827024-54-4
Molecular Formula:
C12H22O
Molecular Weight:
182.3025
IUPAC Name:
4-ethoxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
InChI:
InChI=1S/C12H22O/c1-5-13-11(4)6-7-12(9(2)3)8-10(11)12/h9-10H,5-8H2,1-4H3
InChI Key:
NOQJZZYQMRJNHB-UHFFFAOYSA-N
SMILES:
CCOC1(C)CCC2(C1C2)C(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.307g/mol
Monoisotopic Mass:
182.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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