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178312-62-4 | 1,4-Oxazepine, hexahydro-, hydrochloride (1:1)
CAS No: 178312-62-4 Catalog No: AG0025X2 MDL No:MFCD02683070
Product Description
Catalog Number:
AG0025X2
Chemical Name:
1,4-Oxazepine, hexahydro-, hydrochloride (1:1)
CAS Number:
178312-62-4
Molecular Formula:
C5H12ClNO
Molecular Weight:
137.6079
MDL Number:
MFCD02683070
IUPAC Name:
1,4-oxazepane;hydrochloride
InChI:
InChI=1S/C5H11NO.ClH/c1-2-6-3-5-7-4-1;/h6H,1-5H2;1H
InChI Key:
LJRCWNIWOVZLKS-UHFFFAOYSA-N
SMILES:
C1CNCCOC1.Cl
Properties
Complexity:
47.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.061g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
137.607g/mol
Monoisotopic Mass:
137.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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