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1823915-98-5 | 5,6,7,8-TETRAHYDRO-4H-4,7-EPIMINOCYCLOHEPTA[D]ISOXAZOLE HYDROCHLORIDE
CAS No: 1823915-98-5 Catalog No: AG01ASZ9 MDL No:MFCD28016993
Product Description
Catalog Number:
AG01ASZ9
Chemical Name:
5,6,7,8-TETRAHYDRO-4H-4,7-EPIMINOCYCLOHEPTA[D]ISOXAZOLE HYDROCHLORIDE
CAS Number:
1823915-98-5
Molecular Formula:
C8H11ClN2O
Molecular Weight:
186.6387
MDL Number:
MFCD28016993
IUPAC Name:
5-oxa-4,11-diazatricyclo[6.2.1.02,6]undeca-2(6),3-diene;hydrochloride
InChI:
InChI=1S/C8H10N2O.ClH/c1-2-7-6-4-9-11-8(6)3-5(1)10-7;/h4-5,7,10H,1-3H2;1H
InChI Key:
BNYJQVIGKIBKTD-UHFFFAOYSA-N
SMILES:
n1cc2c(o1)CC1NC2CC1.Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.639g/mol
Monoisotopic Mass:
186.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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