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141889-98-7 | 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-hydroxy-
CAS No: 141889-98-7 Catalog No: AG001HBK MDL No:
Product Description
Catalog Number:
AG001HBK
Chemical Name:
2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-3-hydroxy-
CAS Number:
141889-98-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
InChI:
InChI=1S/C9H8N2O2/c12-8-9(13)11-7-4-2-1-3-6(7)5-10-8/h1-5,8,12H,(H,11,13)
InChI Key:
UWLPJHQWMVWDLG-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2C=NC1O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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