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1363381-91-2 | 2-Azaspiro[3.3]heptane-2-carboxylic acid, 6-oxo-, phenylmethyl ester
CAS No: 1363381-91-2 Catalog No: AG0011P8 MDL No:MFCD22419329
Product Description
Catalog Number:
AG0011P8
Chemical Name:
2-Azaspiro[3.3]heptane-2-carboxylic acid, 6-oxo-, phenylmethyl ester
CAS Number:
1363381-91-2
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD22419329
IUPAC Name:
benzyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate
InChI:
InChI=1S/C14H15NO3/c16-12-6-14(7-12)9-15(10-14)13(17)18-8-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key:
VKPRLSJKUKAFBP-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CC(=O)C2)OCc1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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