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1955530-90-1 | 2H,3H,4H,5H,6H,7H,8H-[1,2]oxazolo[5,4-c]azepin-3-one hydrochloride
CAS No: 1955530-90-1 Catalog No: AG01B67J MDL No:MFCD30181306
Product Description
Catalog Number:
AG01B67J
Chemical Name:
2H,3H,4H,5H,6H,7H,8H-[1,2]oxazolo[5,4-c]azepin-3-one hydrochloride
CAS Number:
1955530-90-1
Molecular Formula:
C7H11ClN2O2
Molecular Weight:
190.6274
MDL Number:
MFCD30181306
IUPAC Name:
5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepin-3-one;hydrochloride
InChI:
InChI=1S/C7H10N2O2.ClH/c10-7-5-2-1-3-8-4-6(5)11-9-7;/h8H,1-4H2,(H,9,10);1H
InChI Key:
PHTOETLJTQWLKW-UHFFFAOYSA-N
SMILES:
O=c1[nH]oc2c1CCCNC2.Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.627g/mol
Monoisotopic Mass:
190.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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