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1227610-19-6 | 7-Azaspiro[3.5]nonane-2,7-dicarboxylic acid, 7-(phenylmethyl) ester
CAS No: 1227610-19-6 Catalog No: AG000JFD MDL No:MFCD22566137
Product Description
Catalog Number:
AG000JFD
Chemical Name:
7-Azaspiro[3.5]nonane-2,7-dicarboxylic acid, 7-(phenylmethyl) ester
CAS Number:
1227610-19-6
Molecular Formula:
C17H20NO4-
Molecular Weight:
302.3450
MDL Number:
MFCD22566137
IUPAC Name:
7-phenylmethoxycarbonyl-7-azaspiro[3.5]nonane-2-carboxylic acid
InChI:
InChI=1S/C17H21NO4/c19-15(20)14-10-17(11-14)6-8-18(9-7-17)16(21)22-12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,19,20)
InChI Key:
QKUIEIBFWFCGSE-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CC(C2)C(=O)[O-])OCc1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.358g/mol
Monoisotopic Mass:
303.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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