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85123-67-7 | 2-(1,2,3,4-Tetrahydroquinolin-2-on-6-yl)-3,4-diazabicyclo(4.1.0)hept-2 -en-5-one hydrate (4
CAS No: 85123-67-7 Catalog No: AG00GKQP MDL No:
Product Description
Catalog Number:
AG00GKQP
Chemical Name:
2-(1,2,3,4-Tetrahydroquinolin-2-on-6-yl)-3,4-diazabicyclo(4.1.0)hept-2 -en-5-one hydrate (4
CAS Number:
85123-67-7
IUPAC Name:
6-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydro-1H-quinolin-2-one
InChI:
InChI=1S/C14H13N3O2/c18-12-4-2-7-5-8(1-3-11(7)15-12)13-9-6-10(9)14(19)17-16-13/h1,3,5,9-10H,2,4,6H2,(H,15,18)(H,17,19)
InChI Key:
LYGJKDQCOGHYOE-UHFFFAOYSA-N
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.277g/mol
Monoisotopic Mass:
255.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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