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Home > Pyridines > 1244949-25-4
1244949-25-4 | 2H-[1,4]Dioxepino[2,3-b]pyridine, 3,4-dihydro-
CAS No: 1244949-25-4 Catalog No: AG000M3G MDL No:MFCD11656594
Product Description
Catalog Number:
AG000M3G
Chemical Name:
2H-[1,4]Dioxepino[2,3-b]pyridine, 3,4-dihydro-
CAS Number:
1244949-25-4
Molecular Formula:
C8H9NO2
Molecular Weight:
151.1626
MDL Number:
MFCD11656594
IUPAC Name:
3,4-dihydro-2H-[1,4]dioxepino[2,3-b]pyridine
InChI:
InChI=1S/C8H9NO2/c1-3-7-8(9-4-1)11-6-2-5-10-7/h1,3-4H,2,5-6H2
InChI Key:
QJVALDBAHHFYJP-UHFFFAOYSA-N
SMILES:
C1COc2c(OC1)cccn2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.063g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.165g/mol
Monoisotopic Mass:
151.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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