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Home > Indoles and Oxindole > 92789-55-4
92789-55-4 | 2-[3-(Hydroxymethyl)phenyl]isoindole-1,3-dione
CAS No: 92789-55-4 Catalog No: AG00IHBZ MDL No:MFCD13281987
Product Description
Catalog Number:
AG00IHBZ
Chemical Name:
2-[3-(Hydroxymethyl)phenyl]isoindole-1,3-dione
CAS Number:
92789-55-4
Molecular Formula:
C15H11NO3
Molecular Weight:
253.2527
MDL Number:
MFCD13281987
IUPAC Name:
2-[3-(hydroxymethyl)phenyl]isoindole-1,3-dione
InChI:
InChI=1S/C15H11NO3/c17-9-10-4-3-5-11(8-10)16-14(18)12-6-1-2-7-13(12)15(16)19/h1-8,17H,9H2
InChI Key:
WMVFXFHZAQLFHT-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.257g/mol
Monoisotopic Mass:
253.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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