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Home > Other Heterocycles > 28676-79-1

28676-79-1

28676-79-1 | Bicyclo[2.2.1]heptanediol

CAS No: 28676-79-1 Catalog No: AG002W1P MDL No:

Product Description

Catalog Number:
AG002W1P
Chemical Name:
Bicyclo[2.2.1]heptanediol
CAS Number:
28676-79-1
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
bicyclo[2.2.1]heptane-1,2-diol
InChI:
InChI=1S/C7H12O2/c8-6-3-5-1-2-7(6,9)4-5/h5-6,8-9H,1-4H2
InChI Key:
WZZPVFWYFOZMQS-UHFFFAOYSA-N
SMILES:
OC1CC2CC1(O)CC2

Properties

Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0

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