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150100-00-8 | Oxepino[4,3-d]pyrimidine(9CI)
CAS No: 150100-00-8 Catalog No: AG001MB8 MDL No:
Product Description
Catalog Number:
AG001MB8
Chemical Name:
Oxepino[4,3-d]pyrimidine(9CI)
CAS Number:
150100-00-8
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
IUPAC Name:
oxepino[4,3-d]pyrimidine
InChI:
InChI=1S/C8H6N2O/c1-2-8-7(5-11-3-1)4-9-6-10-8/h1-6H
InChI Key:
QVOBYBSLEZVOLC-UHFFFAOYSA-N
SMILES:
C1=CC=c2c(=CO1)cncn2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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