Home Other Building Blocks 2-methylbutane-1,2,4-triol

2-methylbutane-1,2,4-triol

CAS No.:
62875-07-4
Catalog Number:
AG003HOV
Molecular Formula:
C5H12O3
Molecular Weight:
120.1470
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Product Description
Catalog Number:
AG003HOV
Chemical Name:
2-methylbutane-1,2,4-triol
CAS Number:
62875-07-4
Molecular Formula:
C5H12O3
Molecular Weight:
120.1470
MDL Number:
MFCD18976145
IUPAC Name:
2-methylbutane-1,2,4-triol
InChI:
InChI=1S/C5H12O3/c1-5(8,4-7)2-3-6/h6-8H,2-4H2,1H3
InChI Key:
XYHGSPUTABMVOC-UHFFFAOYSA-N
SMILES:
OCCC(CO)(O)C
EC Number:
263-746-8
Properties
Complexity:
64.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.079g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
120.148g/mol
Monoisotopic Mass:
120.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  
Properties