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89462-54-4 | 4H-1,4-Oxazocine, 4-methyl-
CAS No: 89462-54-4 Catalog No: AG00442V MDL No:
Product Description
Catalog Number:
AG00442V
Chemical Name:
4H-1,4-Oxazocine, 4-methyl-
CAS Number:
89462-54-4
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
IUPAC Name:
4-methyl-1,4-oxazocine
InChI:
InChI=1S/C7H9NO/c1-8-4-2-3-6-9-7-5-8/h2-7H,1H3
InChI Key:
NSDZDDONIKSMRK-UHFFFAOYSA-N
SMILES:
Cn1ccccocc1
Properties
Complexity:
75.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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