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Home > Other Heterocycles > 1857256-49-5
1857256-49-5 | 3-(thiophen-2-yl)-2-azaspiro[3.3]heptan-1-one
CAS No: 1857256-49-5 Catalog No: AG01C1I3 MDL No:MFCD29047316
Product Description
Catalog Number:
AG01C1I3
Chemical Name:
3-(thiophen-2-yl)-2-azaspiro[3.3]heptan-1-one
CAS Number:
1857256-49-5
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
MDL Number:
MFCD29047316
IUPAC Name:
1-thiophen-2-yl-2-azaspiro[3.3]heptan-3-one
InChI:
InChI=1S/C10H11NOS/c12-9-10(4-2-5-10)8(11-9)7-3-1-6-13-7/h1,3,6,8H,2,4-5H2,(H,11,12)
InChI Key:
HHBLWWNISWCQMA-UHFFFAOYSA-N
SMILES:
O=C1NC(C21CCC2)c1cccs1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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