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Home > Other Heterocycles > 77204-60-5
77204-60-5 | 1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)-
CAS No: 77204-60-5 Catalog No: AG005574 MDL No:
Product Description
Catalog Number:
AG005574
Chemical Name:
1-Azaspiro[5.5]undec-7-en-9-one, 1-(phenylmethyl)-
CAS Number:
77204-60-5
Molecular Formula:
C17H21NO
Molecular Weight:
255.3547
IUPAC Name:
1-benzyl-1-azaspiro[5.5]undec-10-en-9-one
InChI:
InChI=1S/C17H21NO/c19-16-8-11-17(12-9-16)10-4-5-13-18(17)14-15-6-2-1-3-7-15/h1-3,6-8,11H,4-5,9-10,12-14H2
InChI Key:
IYEVHQCVTNSKAH-UHFFFAOYSA-N
SMILES:
O=C1CCC2(C=C1)CCCCN2Cc1ccccc1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.361g/mol
Monoisotopic Mass:
255.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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