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Home > Other Heterocycles > 79516-58-8
79516-58-8 | (1R,2R,3R,4S)-Bicyclo[2.2.1]hept-5-ene-2,3-diyldimethanol
CAS No: 79516-58-8 Catalog No: AG005JKV MDL No:MFCD17926527
Product Description
Catalog Number:
AG005JKV
Chemical Name:
(1R,2R,3R,4S)-Bicyclo[2.2.1]hept-5-ene-2,3-diyldimethanol
CAS Number:
79516-58-8
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD17926527
IUPAC Name:
[(1R,2R,3R,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
InChI:
InChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2/t6-,7+,8-,9-/m1/s1
InChI Key:
IGHHPVIMEQGKNE-BZNPZCIMSA-N
SMILES:
OC[C@@H]1[C@@H]2C=C[C@H]([C@H]1CO)C2
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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