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Home > Indoles and Oxindole > 771-07-3
771-07-3 | 7-(Hydroxymethyl)isoindolin-1-one
CAS No: 771-07-3 Catalog No: AG005EEV MDL No:MFCD28144773
Product Description
Catalog Number:
AG005EEV
Chemical Name:
7-(Hydroxymethyl)isoindolin-1-one
CAS Number:
771-07-3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD28144773
IUPAC Name:
7-(hydroxymethyl)-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C9H9NO2/c11-5-7-3-1-2-6-4-10-9(12)8(6)7/h1-3,11H,4-5H2,(H,10,12)
InChI Key:
UXBCBGBDGIYOGX-UHFFFAOYSA-N
SMILES:
OCc1cccc2c1C(=O)N=C2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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