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Home > Other Heterocycles > 136677-86-6
136677-86-6 | Bicyclo[2.2.1]heptane, 1,7,7-trimethyl-2-propoxy-
CAS No: 136677-86-6 Catalog No: AG001273 MDL No:
Product Description
Catalog Number:
AG001273
Chemical Name:
Bicyclo[2.2.1]heptane, 1,7,7-trimethyl-2-propoxy-
CAS Number:
136677-86-6
Molecular Formula:
C13H24O
Molecular Weight:
196.3291
IUPAC Name:
1,7,7-trimethyl-2-propoxybicyclo[2.2.1]heptane
InChI:
InChI=1S/C13H24O/c1-5-8-14-11-9-10-6-7-13(11,4)12(10,2)3/h10-11H,5-9H2,1-4H3
InChI Key:
GIYOHAJEUBBQGR-UHFFFAOYSA-N
SMILES:
CCCOC1CC2C(C1(C)CC2)(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.183g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.334g/mol
Monoisotopic Mass:
196.183g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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