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Home > Other Heterocycles > 13169-33-0
13169-33-0 | 4-Oxaspiro[2.4]heptane-6-carboxamide, 5-oxo-7-phenyl-
CAS No: 13169-33-0 Catalog No: AG000ZL1 MDL No:
Product Description
Catalog Number:
AG000ZL1
Chemical Name:
4-Oxaspiro[2.4]heptane-6-carboxamide, 5-oxo-7-phenyl-
CAS Number:
13169-33-0
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
5-oxo-7-phenyl-4-oxaspiro[2.4]heptane-6-carboxamide
InChI:
InChI=1S/C13H13NO3/c14-11(15)9-10(8-4-2-1-3-5-8)13(6-7-13)17-12(9)16/h1-5,9-10H,6-7H2,(H2,14,15)
InChI Key:
UIWOEEOOFYZUBE-UHFFFAOYSA-N
SMILES:
NC(=O)C1C(=O)OC2(C1c1ccccc1)CC2
NSC Number:
108985
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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