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114378-05-1 | 5,8-Epoxyindolizine-5(3H)-carboxylic acid, 8,8a-dihydro-3-oxo-
CAS No: 114378-05-1 Catalog No: AG000B6P MDL No:
Product Description
Catalog Number:
AG000B6P
Chemical Name:
5,8-Epoxyindolizine-5(3H)-carboxylic acid, 8,8a-dihydro-3-oxo-
CAS Number:
114378-05-1
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
IUPAC Name:
3-oxo-10-oxa-2-azatricyclo[5.2.1.02,6]deca-4,8-diene-1-carboxylic acid
InChI:
InChI=1S/C9H7NO4/c11-7-2-1-5-6-3-4-9(14-6,8(12)13)10(5)7/h1-6H,(H,12,13)
InChI Key:
CKZBTWKSQAISAQ-UHFFFAOYSA-N
SMILES:
O=C1C=CC2N1C1(C=CC2O1)C(=O)O
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.158g/mol
Monoisotopic Mass:
193.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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