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1233323-61-9 | 3-Oxa-9-azabicyclo[3.3.1]nonane-7,9-dicarboxylic acid, 9-(1,1-dimethylethyl) ester
CAS No: 1233323-61-9 Catalog No: AG000KCN MDL No:MFCD22566257
Product Description
Catalog Number:
AG000KCN
Chemical Name:
3-Oxa-9-azabicyclo[3.3.1]nonane-7,9-dicarboxylic acid, 9-(1,1-dimethylethyl) ester
CAS Number:
1233323-61-9
Molecular Formula:
C13H20NO5-
Molecular Weight:
270.3016
MDL Number:
MFCD22566257
IUPAC Name:
9-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylic acid
InChI:
InChI=1S/C13H21NO5/c1-13(2,3)19-12(17)14-9-4-8(11(15)16)5-10(14)7-18-6-9/h8-10H,4-7H2,1-3H3,(H,15,16)
InChI Key:
OVNHULFEMHFUNY-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CC2COCC(C1)N2C(=O)OC(C)(C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.313g/mol
Monoisotopic Mass:
271.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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