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115462-87-8 | 1H-Benzocyclohepten-2-ol, decahydro-6-iodo-
CAS No: 115462-87-8 Catalog No: AG000G03 MDL No:
Product Description
Catalog Number:
AG000G03
Chemical Name:
1H-Benzocyclohepten-2-ol, decahydro-6-iodo-
CAS Number:
115462-87-8
Molecular Formula:
C11H19IO
Molecular Weight:
294.1724
IUPAC Name:
6-iodo-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulen-2-ol
InChI:
InChI=1S/C11H19IO/c12-10-3-1-2-8-7-11(13)5-4-9(8)6-10/h8-11,13H,1-7H2
InChI Key:
HZRVYWBWLWCRMY-UHFFFAOYSA-N
SMILES:
OC1CCC2C(C1)CCCC(C2)I
Properties
Complexity:
172
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:
1
Isotope Atom Count:
0
Molecular Weight:
294.176g/mol
Monoisotopic Mass:
294.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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