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2060027-08-7 | 1-(4-hydroxy-2,3-dihydro-1H-isoindol-2-yl)-2-methylpropan-1-one
CAS No: 2060027-08-7 Catalog No: AG01BOAP MDL No:MFCD30498894
Product Description
Catalog Number:
AG01BOAP
Chemical Name:
1-(4-hydroxy-2,3-dihydro-1H-isoindol-2-yl)-2-methylpropan-1-one
CAS Number:
2060027-08-7
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD30498894
IUPAC Name:
1-(4-hydroxy-1,3-dihydroisoindol-2-yl)-2-methylpropan-1-one
InChI:
InChI=1S/C12H15NO2/c1-8(2)12(15)13-6-9-4-3-5-11(14)10(9)7-13/h3-5,8,14H,6-7H2,1-2H3
InChI Key:
CFZIWGCMBIFIGY-UHFFFAOYSA-N
SMILES:
CC(C(=O)N1Cc2c(C1)cccc2O)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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