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107-88-0

107-88-0 | (±)-1,3-Butanediol

CAS No: 107-88-0 Catalog No: AG003BDZ MDL No:MFCD00004554

Product Description

Catalog Number:
AG003BDZ
Chemical Name:
(±)-1,3-Butanediol
CAS Number:
107-88-0
Molecular Formula:
C4H10O2
Molecular Weight:
90.1210
MDL Number:
MFCD00004554
IUPAC Name:
butane-1,3-diol
InChI:
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3
InChI Key:
PUPZLCDOIYMWBV-UHFFFAOYSA-N
SMILES:
OCCC(O)C
RTECS Number:
EK0440000

Properties

Complexity:
28.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
90.068g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
90.122g/mol
Monoisotopic Mass:
90.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  

Literature

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