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Home Other Building Blocks 1,5-Pentanedioic acid monobenzyl ester

1,5-Pentanedioic acid monobenzyl ester

CAS No.:
54322-10-0
Catalog Number:
AG003DQX
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$50
- +
5g
96%
In Stock USA
United States
$207
- +
10g
96%
In Stock USA
United States
$400
- +
25g
96%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG003DQX
Chemical Name:
1,5-Pentanedioic acid monobenzyl ester
CAS Number:
54322-10-0
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00447718
IUPAC Name:
5-oxo-5-phenylmethoxypentanoic acid
InChI:
InChI=1S/C12H14O4/c13-11(14)7-4-8-12(15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14)
InChI Key:
WRSDJJXJDSEUSQ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)OCc1ccccc1
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Cytenamide-butyric acid (1/1). Acta crystallographica. Section E, Structure reports online 20080701
Properties