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15781-96-1 | Benzenepropanoic acid, 1,1'-anhydride
CAS No: 15781-96-1 Catalog No: AG001PQT MDL No:
Product Description
Catalog Number:
AG001PQT
Chemical Name:
Benzenepropanoic acid, 1,1'-anhydride
CAS Number:
15781-96-1
Molecular Formula:
C18H18O3
Molecular Weight:
282.3337
IUPAC Name:
3-phenylpropanoyl 3-phenylpropanoate
InChI:
InChI=1S/C18H18O3/c19-17(13-11-15-7-3-1-4-8-15)21-18(20)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
InChI Key:
SQAHPYZABTWPNY-UHFFFAOYSA-N
SMILES:
O=C(OC(=O)CCc1ccccc1)CCc1ccccc1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.339g/mol
Monoisotopic Mass:
282.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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