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1159822-23-7 | 8-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid, 8-(phenylmethyl) ester
CAS No: 1159822-23-7 Catalog No: AG000HBE MDL No:MFCD18071451
Product Description
Catalog Number:
AG000HBE
Chemical Name:
8-Azabicyclo[3.2.1]octane-3,8-dicarboxylic acid, 8-(phenylmethyl) ester
CAS Number:
1159822-23-7
Molecular Formula:
C16H18NO4-
Molecular Weight:
288.3184
MDL Number:
MFCD18071451
IUPAC Name:
8-phenylmethoxycarbonyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
InChI:
InChI=1S/C16H19NO4/c18-15(19)12-8-13-6-7-14(9-12)17(13)16(20)21-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,18,19)
InChI Key:
GGRXHCDVNPOPQW-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CC2CCC(C1)N2C(=O)OCc1ccccc1
Properties
Complexity:
391
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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