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Home > Other Heterocycles > 188910-44-3
188910-44-3 | Bicyclo[2.2.1]hept-5-en-2-one, 7,7-dimethoxy-, (1R,4R)-
CAS No: 188910-44-3 Catalog No: AG002HI1 MDL No:
Product Description
Catalog Number:
AG002HI1
Chemical Name:
Bicyclo[2.2.1]hept-5-en-2-one, 7,7-dimethoxy-, (1R,4R)-
CAS Number:
188910-44-3
Molecular Formula:
C9H12O3
Molecular Weight:
168.1898
IUPAC Name:
(1R)-7,7-dimethoxybicyclo[2.2.1]hept-5-en-2-one
InChI:
InChI=1S/C9H12O3/c1-11-9(12-2)6-3-4-7(9)8(10)5-6/h3-4,6-7H,5H2,1-2H3/t6?,7-/m1/s1
InChI Key:
RESRXHNESRQRHG-COBSHVIPSA-N
SMILES:
COC1(OC)[C@H]2C=C[C@@H]1C(=O)C2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
168.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.192g/mol
Monoisotopic Mass:
168.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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