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147610-85-3 | 6-Azaspiro[2.5]octane-1,6-dicarboxylic acid, 6-(phenylmethyl) ester
CAS No: 147610-85-3 Catalog No: AG001F1B MDL No:MFCD17214280
Product Description
Catalog Number:
AG001F1B
Chemical Name:
6-Azaspiro[2.5]octane-1,6-dicarboxylic acid, 6-(phenylmethyl) ester
CAS Number:
147610-85-3
Molecular Formula:
C16H18NO4-
Molecular Weight:
288.3184
MDL Number:
MFCD17214280
IUPAC Name:
6-phenylmethoxycarbonyl-6-azaspiro[2.5]octane-2-carboxylic acid
InChI:
InChI=1S/C16H19NO4/c18-14(19)13-10-16(13)6-8-17(9-7-16)15(20)21-11-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19)
InChI Key:
FQFCMBUJUFOXNL-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CC2C(=O)[O-])OCc1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.131g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.331g/mol
Monoisotopic Mass:
289.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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