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189333-18-4 | 3-Azaspiro[5.5]undec-7-ene-3-carboxylic acid, 9-oxo-, phenylMethyl ester
CAS No: 189333-18-4 Catalog No: AG002IB6 MDL No:MFCD26743504
Product Description
Catalog Number:
AG002IB6
Chemical Name:
3-Azaspiro[5.5]undec-7-ene-3-carboxylic acid, 9-oxo-, phenylMethyl ester
CAS Number:
189333-18-4
Molecular Formula:
C18H21NO3
Molecular Weight:
299.3642
MDL Number:
MFCD26743504
IUPAC Name:
benzyl 9-oxo-3-azaspiro[5.5]undec-10-ene-3-carboxylate
InChI:
InChI=1S/C18H21NO3/c20-16-6-8-18(9-7-16)10-12-19(13-11-18)17(21)22-14-15-4-2-1-3-5-15/h1-6,8H,7,9-14H2
InChI Key:
GZXUPVALIYWMTB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CCC(=O)C=C2)OCc1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.37g/mol
Monoisotopic Mass:
299.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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