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189346-01-8 | Bicyclo[2.2.1]hepta-2,5-diene-2-carboxaldehyde, 3-iodo-, (1R,4S)-
CAS No: 189346-01-8 Catalog No: AG002ICZ MDL No:
Product Description
Catalog Number:
AG002ICZ
Chemical Name:
Bicyclo[2.2.1]hepta-2,5-diene-2-carboxaldehyde, 3-iodo-, (1R,4S)-
CAS Number:
189346-01-8
Molecular Formula:
C8H7IO
Molecular Weight:
246.0450
IUPAC Name:
(1R)-3-iodobicyclo[2.2.1]hepta-2,5-diene-2-carbaldehyde
InChI:
InChI=1S/C8H7IO/c9-8-6-2-1-5(3-6)7(8)4-10/h1-2,4-6H,3H2/t5-,6?/m0/s1
InChI Key:
FUMAWYUTMVICOQ-ZBHICJROSA-N
SMILES:
O=CC1=C(I)[C@H]2C[C@@H]1C=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:
245.954g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.047g/mol
Monoisotopic Mass:
245.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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