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Home > Other Heterocycles > 113555-82-1
113555-82-1 | [7,7'-Bibicyclo[2.2.1]hepta-2,5-dien]-7-ol, 7'-(2-hydroxyethoxy)-
CAS No: 113555-82-1 Catalog No: AG0008ZF MDL No:
Product Description
Catalog Number:
AG0008ZF
Chemical Name:
[7,7'-Bibicyclo[2.2.1]hepta-2,5-dien]-7-ol, 7'-(2-hydroxyethoxy)-
CAS Number:
113555-82-1
Molecular Formula:
C16H22O3
Molecular Weight:
262.3441
IUPAC Name:
7-[7-(2-hydroxyethoxy)-7-bicyclo[2.2.1]hepta-2,5-dienyl]bicyclo[2.2.1]hepta-2,5-dien-7-ol
InChI:
InChI=1S/C16H18O3/c17-9-10-19-16(13-5-6-14(16)8-7-13)15(18)11-1-2-12(15)4-3-11/h1-8,11-14,17-18H,9-10H2
InChI Key:
CHBUNZDVOUWDOG-UHFFFAOYSA-N
SMILES:
OCCOC1(C2CCC1CC2)C1(O)C2C=CC1C=C2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.317g/mol
Monoisotopic Mass:
258.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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