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Home > Other Heterocycles > 85976-46-1
85976-46-1 | 1-Oxa-4-azaspiro[4.5]dec-3-en-2-one, 3-methoxy-
CAS No: 85976-46-1 Catalog No: AG004VO6 MDL No:
Product Description
Catalog Number:
AG004VO6
Chemical Name:
1-Oxa-4-azaspiro[4.5]dec-3-en-2-one, 3-methoxy-
CAS Number:
85976-46-1
Molecular Formula:
C9H13NO3
Molecular Weight:
183.2044
IUPAC Name:
3-methoxy-1-oxa-4-azaspiro[4.5]dec-3-en-2-one
InChI:
InChI=1S/C9H13NO3/c1-12-7-8(11)13-9(10-7)5-3-2-4-6-9/h2-6H2,1H3
InChI Key:
ICRLQRSQNJBFEC-UHFFFAOYSA-N
SMILES:
COC1=NC2(OC1=O)CCCCC2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.207g/mol
Monoisotopic Mass:
183.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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