Home Other Building Blocks 1,2-Propanediol, 1,2-dibenzoate

1,2-Propanediol, 1,2-dibenzoate

CAS No.:
19224-26-1
Catalog Number:
AG002FS9
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
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Product Description
Catalog Number:
AG002FS9
Chemical Name:
1,2-Propanediol, 1,2-dibenzoate
CAS Number:
19224-26-1
Molecular Formula:
C17H16O4
Molecular Weight:
284.3065
MDL Number:
MFCD14643037
IUPAC Name:
2-benzoyloxypropyl benzoate
InChI:
InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChI Key:
UMVMVEZHMZTUHD-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccccc1)COC(=O)c1ccccc1
EC Number:
242-894-7
FEMA Number:
3419
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.105g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.311g/mol
Monoisotopic Mass:
284.105g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties