Home Other Building Blocks Citric Acid tert-Butyl Ester

Citric Acid tert-Butyl Ester

CAS No.:
114340-52-2
Catalog Number:
AG008VXE
Molecular Formula:
C10H16O7
Molecular Weight:
248.2298
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG008VXE
Chemical Name:
Citric Acid tert-Butyl Ester
CAS Number:
114340-52-2
Molecular Formula:
C10H16O7
Molecular Weight:
248.2298
MDL Number:
MFCD25955820
IUPAC Name:
3-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]pentanedioic acid
InChI:
InChI=1S/C10H16O7/c1-9(2,3)17-8(15)10(16,4-6(11)12)5-7(13)14/h16H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChI Key:
XJPLJXMSVNSFCZ-UHFFFAOYSA-N
SMILES:
O=C(C(CC(=O)O)(CC(=O)O)O)OC(C)(C)C
Properties
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
248.231g/mol
Monoisotopic Mass:
248.09g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties