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2044714-11-4 | 4-hydroxy-2-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-isoindol-1-one
CAS No: 2044714-11-4 Catalog No: AG01BVDR MDL No:MFCD30476349
Product Description
Catalog Number:
AG01BVDR
Chemical Name:
4-hydroxy-2-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-isoindol-1-one
CAS Number:
2044714-11-4
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
MDL Number:
MFCD30476349
IUPAC Name:
4-hydroxy-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
InChI:
InChI=1S/C16H15NO3/c1-20-12-7-5-11(6-8-12)9-17-10-14-13(16(17)19)3-2-4-15(14)18/h2-8,18H,9-10H2,1H3
InChI Key:
DIIYUDLERFFNIH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1Cc2c(C1=O)cccc2O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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