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1291487-33-6 | 2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid, 2-(phenylmethyl) ester
CAS No: 1291487-33-6 Catalog No: AG000YWH MDL No:MFCD18432778
Product Description
Catalog Number:
AG000YWH
Chemical Name:
2-Azaspiro[3.3]heptane-2,6-dicarboxylic acid, 2-(phenylmethyl) ester
CAS Number:
1291487-33-6
Molecular Formula:
C15H16NO4-
Molecular Weight:
274.2918
MDL Number:
MFCD18432778
IUPAC Name:
2-phenylmethoxycarbonyl-2-azaspiro[3.3]heptane-6-carboxylic acid
InChI:
InChI=1S/C15H17NO4/c17-13(18)12-6-15(7-12)9-16(10-15)14(19)20-8-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,17,18)
InChI Key:
TXYJSXKXMYOUBY-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CC(C2)C(=O)[O-])OCc1ccccc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.304g/mol
Monoisotopic Mass:
275.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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