Home Other Building Blocks 1,4-Phenylene dipropionate

1,4-Phenylene dipropionate

CAS No.:
7402-28-0
Catalog Number:
AG003DP5
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
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Product Description
Catalog Number:
AG003DP5
Chemical Name:
1,4-Phenylene dipropionate
CAS Number:
7402-28-0
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00082703
IUPAC Name:
(4-propanoyloxyphenyl) propanoate
InChI:
InChI=1S/C12H14O4/c1-3-11(13)15-9-5-7-10(8-6-9)16-12(14)4-2/h5-8H,3-4H2,1-2H3
InChI Key:
HGXJNYNUTHMEOS-UHFFFAOYSA-N
SMILES:
CCC(=O)Oc1ccc(cc1)OC(=O)CC
Properties
Complexity:
215  
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:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties