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882747-48-0 | 3-[(4-hydroxy-3-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one
CAS No: 882747-48-0 Catalog No: AG00ITRA MDL No:MFCD08281853
Product Description
Catalog Number:
AG00ITRA
Chemical Name:
3-[(4-hydroxy-3-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one
CAS Number:
882747-48-0
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
MDL Number:
MFCD08281853
IUPAC Name:
3-[(4-hydroxy-3-methoxy-5-methylphenyl)methyl]-1,3-dihydroindol-2-one
InChI:
InChI=1S/C17H17NO3/c1-10-7-11(9-15(21-2)16(10)19)8-13-12-5-3-4-6-14(12)18-17(13)20/h3-7,9,13,19H,8H2,1-2H3,(H,18,20)
InChI Key:
NMCLAXHIFTYHBN-UHFFFAOYSA-N
SMILES:
COc1cc(CC2C(=O)Nc3c2cccc3)cc(c1O)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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