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Home > Other Heterocycles > 141345-99-5
141345-99-5 | 2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-
CAS No: 141345-99-5 Catalog No: AG001G9L MDL No:
Product Description
Catalog Number:
AG001G9L
Chemical Name:
2-Butanone, 4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)-
CAS Number:
141345-99-5
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
IUPAC Name:
4-(4-oxa-5-azaspiro[2.4]hept-5-en-6-yl)butan-2-one
InChI:
InChI=1S/C9H13NO2/c1-7(11)2-3-8-6-9(4-5-9)12-10-8/h2-6H2,1H3
InChI Key:
KGUZHOXFNDNRNV-UHFFFAOYSA-N
SMILES:
CC(=O)CCC1=NOC2(C1)CC2
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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