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150543-42-3 | 5-Azaspiro[2.4]heptane-1-carboxylic acid, 5-(phenylmethyl)-, ethyl ester
CAS No: 150543-42-3 Catalog No: AG001MPC MDL No:
Product Description
Catalog Number:
AG001MPC
Chemical Name:
5-Azaspiro[2.4]heptane-1-carboxylic acid, 5-(phenylmethyl)-, ethyl ester
CAS Number:
150543-42-3
Molecular Formula:
C16H21NO2
Molecular Weight:
259.3434
IUPAC Name:
ethyl 5-benzyl-5-azaspiro[2.4]heptane-2-carboxylate
InChI:
InChI=1S/C16H21NO2/c1-2-19-15(18)14-10-16(14)8-9-17(12-16)11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChI Key:
FCWLRKKKNGDVQE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC21CCN(C2)Cc1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.157g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.349g/mol
Monoisotopic Mass:
259.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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