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Home > Indoles and Oxindole > 41081-96-3
41081-96-3 | 1H-Isoindole-1,3(2H)-dione, 2-[(phenylmethoxy)methyl]-
CAS No: 41081-96-3 Catalog No: AG0073CH MDL No:
Product Description
Catalog Number:
AG0073CH
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(phenylmethoxy)methyl]-
CAS Number:
41081-96-3
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
2-(phenylmethoxymethyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H13NO3/c18-15-13-8-4-5-9-14(13)16(19)17(15)11-20-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChI Key:
NMJYMWAHMOSVOF-UHFFFAOYSA-N
SMILES:
O=C1N(COCc2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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