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1160247-02-8 | 1-Oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxylic acid, 7-(1,1-dimethylethyl) ester
CAS No: 1160247-02-8 Catalog No: AG000BE9 MDL No:MFCD12198541
Product Description
Catalog Number:
AG000BE9
Chemical Name:
1-Oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxylic acid, 7-(1,1-dimethylethyl) ester
CAS Number:
1160247-02-8
Molecular Formula:
C12H17N2O5-
Molecular Weight:
269.2738
MDL Number:
MFCD12198541
IUPAC Name:
7-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxylic acid
InChI:
InChI=1S/C12H18N2O5/c1-11(2,3)18-10(17)14-5-4-12(7-14)6-8(9(15)16)13-19-12/h4-7H2,1-3H3,(H,15,16)
InChI Key:
VDBHRLLAIDADMX-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(C1)ON=C(C2)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.285g/mol
Monoisotopic Mass:
270.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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