Home Other Building Blocks 62875-07-4
62875-07-4,MFCD18976145
Catalog No.:AA003HM3
62875-07-4 | 2-methylbutane-1,2,4-triol
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
2 weeks  
$296.00
- +
250mg
95%
2 weeks  
$430.00
- +
1g
95%
2 weeks  
$1,083.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HM3
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
Computed 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  

Synonyms
 
2-Methylbutane-1,2,4-triol 
62875-07-4 
MFCD18976145 
AKOS024257954 
FCH1053080 
TRA0038646 
C5-H12-O3 
CID3017363 
100-79-8 
1,2,4-Butanetriol,2-methyl- 
2-methyl-1,2,4-butanetriol 
1,2,4-Butanetriol, 2-methyl- 
EINECS 263-746-8 
AC1MI4MH 
SCHEMBL28594 
CTK5B6428 
KS-000000GL 
Literature
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