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30318-11-7 | 4H-1,4-Oxazocine
CAS No: 30318-11-7 Catalog No: AG002ZRD MDL No:
Product Description
Catalog Number:
AG002ZRD
Chemical Name:
4H-1,4-Oxazocine
CAS Number:
30318-11-7
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
IUPAC Name:
4H-1,4-oxazocine
InChI:
InChI=1S/C6H7NO/c1-2-5-8-6-4-7-3-1/h1-7H
InChI Key:
QIROUCHIMHUWAP-UHFFFAOYSA-N
SMILES:
c1ccocc[nH]c1
Properties
Complexity:
56.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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