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3646-17-1 | 2H-1,4-Oxazocine
CAS No: 3646-17-1 Catalog No: AG00CXMN MDL No:
Product Description
Catalog Number:
AG00CXMN
Chemical Name:
2H-1,4-Oxazocine
CAS Number:
3646-17-1
IUPAC Name:
2H-1,4-oxazocine
InChI:
InChI=1S/C6H7NO/c1-2-5-8-6-4-7-3-1/h1-5H,6H2
InChI Key:
IBKQADUFYUSGQD-UHFFFAOYSA-N
Properties
Complexity:
136
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.5
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