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787-46-2 | 1(2H)-Isoquinolinone, 3-(phenylmethyl)-
CAS No: 787-46-2 Catalog No: AG0058IC MDL No:
Product Description
Catalog Number:
AG0058IC
Chemical Name:
1(2H)-Isoquinolinone, 3-(phenylmethyl)-
CAS Number:
787-46-2
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
IUPAC Name:
3-benzyl-2H-isoquinolin-1-one
InChI:
InChI=1S/C16H13NO/c18-16-15-9-5-4-8-13(15)11-14(17-16)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,17,18)
InChI Key:
WZJOZBYVNJRIBN-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(Cc2ccccc2)cc2c1cccc2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Prolonged paralysis following mivacurium administration. | Anaesthesia and intensive care 20020601 |
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