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264-33-5 | Oxepino[4,5-c]pyridine (9CI)
CAS No: 264-33-5 Catalog No: AG002T29 MDL No:
Product Description
Catalog Number:
AG002T29
Chemical Name:
Oxepino[4,5-c]pyridine (9CI)
CAS Number:
264-33-5
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
IUPAC Name:
oxepino[4,5-c]pyridine
InChI:
InChI=1S/C9H7NO/c1-4-10-7-9-3-6-11-5-2-8(1)9/h1-7H
InChI Key:
SXLUCYUNXMFXTK-UHFFFAOYSA-N
SMILES:
O1C=Cc2c(C=C1)ccnc2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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