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65082-64-6 | Bicyclo[4.1.0]heptane, 4-iodo-3-methoxy-3,7,7-trimethyl-
CAS No: 65082-64-6 Catalog No: AG006TFV MDL No:
Product Description
Catalog Number:
AG006TFV
Chemical Name:
Bicyclo[4.1.0]heptane, 4-iodo-3-methoxy-3,7,7-trimethyl-
CAS Number:
65082-64-6
Molecular Formula:
C11H19IO
Molecular Weight:
294.1724
IUPAC Name:
4-iodo-3-methoxy-3,7,7-trimethylbicyclo[4.1.0]heptane
InChI:
InChI=1S/C11H19IO/c1-10(2)7-5-9(12)11(3,13-4)6-8(7)10/h7-9H,5-6H2,1-4H3
InChI Key:
NNCOEKWPZABVLY-UHFFFAOYSA-N
SMILES:
COC1(C)CC2C(CC1I)C2(C)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.176g/mol
Monoisotopic Mass:
294.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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