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117422-13-6 | 1H-Pyrrolizine-1-carboxylic acid, 5-(2-furanylcarbonyl)-2,3-dihydro-
CAS No: 117422-13-6 Catalog No: AG000EAF MDL No:
Product Description
Catalog Number:
AG000EAF
Chemical Name:
1H-Pyrrolizine-1-carboxylic acid, 5-(2-furanylcarbonyl)-2,3-dihydro-
CAS Number:
117422-13-6
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
IUPAC Name:
5-(furan-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
InChI:
InChI=1S/C13H11NO4/c15-12(11-2-1-7-18-11)10-4-3-9-8(13(16)17)5-6-14(9)10/h1-4,7-8H,5-6H2,(H,16,17)
InChI Key:
WFNLUYMSCZSOCF-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCn2c1ccc2C(=O)c1ccco1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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