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161959-08-6 | 1,2,2a,3-tetrahydropyrrolo[4,3,2-de]quinolin-4(5H)-one
CAS No: 161959-08-6 Catalog No: AG00AN36 MDL No:
Product Description
Catalog Number:
AG00AN36
Chemical Name:
1,2,2a,3-tetrahydropyrrolo[4,3,2-de]quinolin-4(5H)-one
CAS Number:
161959-08-6
IUPAC Name:
2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-6-one
InChI:
InChI=1S/C10H10N2O/c13-9-4-6-5-11-7-2-1-3-8(12-9)10(6)7/h1-3,6,11H,4-5H2,(H,12,13)
InChI Key:
TWCNYBRZWGRNMP-UHFFFAOYSA-N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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