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135620-46-1 | IMIDAZO[1,5,4-DE][1,4]BENZOXAZINE
CAS No: 135620-46-1 Catalog No: AG007L9K MDL No:MFCD27958581
Product Description
Catalog Number:
AG007L9K
Chemical Name:
IMIDAZO[1,5,4-DE][1,4]BENZOXAZINE
CAS Number:
135620-46-1
Molecular Formula:
C9H6N2O
Molecular Weight:
158.1567
MDL Number:
MFCD27958581
IUPAC Name:
9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene
InChI:
InChI=1S/C9H6N2O/c1-2-7-9-8(3-1)12-5-4-11(9)6-10-7/h1-6H
InChI Key:
PBMYPJNJTOIIQN-UHFFFAOYSA-N
SMILES:
c1cc2ncn3c2c(c1)occ3
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.16g/mol
Monoisotopic Mass:
158.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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