Home Other Building Blocks 5-Phenoxyisobenzofuran-1(3H)-one

5-Phenoxyisobenzofuran-1(3H)-one

CAS No.:
57830-14-5
Catalog Number:
AG00371E
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
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Product Description
Catalog Number:
AG00371E
Chemical Name:
5-Phenoxyisobenzofuran-1(3H)-one
CAS Number:
57830-14-5
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
MDL Number:
MFCD14582822
IUPAC Name:
5-phenoxy-3H-2-benzofuran-1-one
InChI:
InChI=1S/C14H10O3/c15-14-13-7-6-12(8-10(13)9-16-14)17-11-4-2-1-3-5-11/h1-8H,9H2
InChI Key:
BTQCNYDOVASZJD-UHFFFAOYSA-N
SMILES:
O=C1OCc2c1ccc(c2)Oc1ccccc1
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties