Home Other Building Blocks 1-Monobutyrin

1-Monobutyrin

CAS No.:
557-25-5
Catalog Number:
AG003EJ4
Molecular Formula:
C7H14O4
Molecular Weight:
162.1837
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
In Stock USA
United States
$313
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Product Description
Catalog Number:
AG003EJ4
Chemical Name:
1-Monobutyrin
CAS Number:
557-25-5
Molecular Formula:
C7H14O4
Molecular Weight:
162.1837
MDL Number:
MFCD00041830
IUPAC Name:
2,3-dihydroxypropyl butanoate
InChI:
InChI=1S/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3
InChI Key:
RIEABXYBQSLTFR-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCC(CO)O
NSC Number:
8451
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.089g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
162.185g/mol
Monoisotopic Mass:
162.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
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Properties