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1389264-26-9 | 3-Oxa-9-azabicyclo[3.3.1]nonane-7-acetic acid, hydrochloride (1:1)
CAS No: 1389264-26-9 Catalog No: AG0019UE MDL No:MFCD22573393
Product Description
Catalog Number:
AG0019UE
Chemical Name:
3-Oxa-9-azabicyclo[3.3.1]nonane-7-acetic acid, hydrochloride (1:1)
CAS Number:
1389264-26-9
Molecular Formula:
C9H16ClNO3
Molecular Weight:
221.6812
MDL Number:
MFCD22573393
IUPAC Name:
2-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C9H15NO3.ClH/c11-9(12)3-6-1-7-4-13-5-8(2-6)10-7;/h6-8,10H,1-5H2,(H,11,12);1H
InChI Key:
SHYQVAFUHDAGCS-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CC2COCC(C1)N2.Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.681g/mol
Monoisotopic Mass:
221.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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