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

2-cyclobutylpropane-1,3-diol

CAS No.:
76731-18-5
Catalog Number:
AG01DWNO
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
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Product Description
Catalog Number:
AG01DWNO
Chemical Name:
2-cyclobutylpropane-1,3-diol
CAS Number:
76731-18-5
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD28122739
IUPAC Name:
2-cyclobutylpropane-1,3-diol
InChI:
InChI=1S/C7H14O2/c8-4-7(5-9)6-2-1-3-6/h6-9H,1-5H2
InChI Key:
DCYXFUZHSKLYQC-UHFFFAOYSA-N
SMILES:
OCC(C1CCC1)CO
Properties
Complexity:
75  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties