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22246-04-4 | 7-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
CAS No: 22246-04-4 Catalog No: AG00BCV8 MDL No:MFCD04114863
Product Description
Catalog Number:
AG00BCV8
Chemical Name:
7-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
CAS Number:
22246-04-4
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD04114863
IUPAC Name:
7-methoxy-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H11NO2/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-3,6H,4-5H2,1H3,(H,11,12)
InChI Key:
QBEYUVIGABSXEU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)NCC2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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