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Home > Other Heterocycles > 1803609-48-4
1803609-48-4 | 3-phenyl-2-azaspiro[3.3]heptan-1-one
CAS No: 1803609-48-4 Catalog No: AG01ALW8 MDL No:MFCD28968277
Product Description
Catalog Number:
AG01ALW8
Chemical Name:
3-phenyl-2-azaspiro[3.3]heptan-1-one
CAS Number:
1803609-48-4
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD28968277
IUPAC Name:
1-phenyl-2-azaspiro[3.3]heptan-3-one
InChI:
InChI=1S/C12H13NO/c14-11-12(7-4-8-12)10(13-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14)
InChI Key:
ZJKWIOQIRSAWLR-UHFFFAOYSA-N
SMILES:
O=C1NC(C21CCC2)c1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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