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13203-89-9 | 1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)-
CAS No: 13203-89-9 Catalog No: AG00103M MDL No:
Product Description
Catalog Number:
AG00103M
Chemical Name:
1(3H)-Isobenzofuranone, 3-(2-oxo-2-phenylethyl)-
CAS Number:
13203-89-9
Molecular Formula:
C16H12O3
Molecular Weight:
252.2647
IUPAC Name:
3-phenacyl-3H-2-benzofuran-1-one
InChI:
InChI=1S/C16H12O3/c17-14(11-6-2-1-3-7-11)10-15-12-8-4-5-9-13(12)16(18)19-15/h1-9,15H,10H2
InChI Key:
HDFRRCTULQZGCK-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC1OC(=O)c2c1cccc2
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.269g/mol
Monoisotopic Mass:
252.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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