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129764-03-0 | Bicyclo[2.2.1]heptane-2,3,5,6,7-pentol, (2-endo,3-endo,5-exo,6-exo,7-syn)-
CAS No: 129764-03-0 Catalog No: AG000TNP MDL No:
Product Description
Catalog Number:
AG000TNP
Chemical Name:
Bicyclo[2.2.1]heptane-2,3,5,6,7-pentol, (2-endo,3-endo,5-exo,6-exo,7-syn)-
CAS Number:
129764-03-0
Molecular Formula:
C7H12O5
Molecular Weight:
176.1672
IUPAC Name:
bicyclo[2.2.1]heptane-2,3,5,6,7-pentol
InChI:
InChI=1S/C7H12O5/c8-3-1-4(9)6(11)2(3)7(12)5(1)10/h1-12H
InChI Key:
MNLYMIVQQRICEJ-UHFFFAOYSA-N
SMILES:
OC1C2C(C(C1C(C2O)O)O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
176.168g/mol
Monoisotopic Mass:
176.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.8
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