Home Other Building Blocks 2,2-dimethylcyclobutane-1,3-diol

2,2-dimethylcyclobutane-1,3-diol

CAS No.:
1443981-71-2
Catalog Number:
AG01A55K
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
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Product Description
Catalog Number:
AG01A55K
Chemical Name:
2,2-dimethylcyclobutane-1,3-diol
CAS Number:
1443981-71-2
Molecular Formula:
C6H12O2
Molecular Weight:
116.1583
MDL Number:
MFCD24842799
IUPAC Name:
2,2-dimethylcyclobutane-1,3-diol
InChI:
InChI=1S/C6H12O2/c1-6(2)4(7)3-5(6)8/h4-5,7-8H,3H2,1-2H3
InChI Key:
CREZVKNYLKCGGU-UHFFFAOYSA-N
SMILES:
OC1CC(C1(C)C)O
Properties
Complexity:
88.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.084g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
116.16g/mol
Monoisotopic Mass:
116.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties