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Home > Indoles and Oxindole > 110351-94-5
110351-94-5 | (4S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione
CAS No: 110351-94-5 Catalog No: AG00388O MDL No:MFCD09833229
Product Description
Catalog Number:
AG00388O
Chemical Name:
(4S)-4-Ethyl-7,8-dihydro-4-hydroxy-1H-pyrano[3,4-f]indolizine-3,6,10(4H)-trione
CAS Number:
110351-94-5
Molecular Formula:
C13H13NO5
Molecular Weight:
263.2460
MDL Number:
MFCD09833229
IUPAC Name:
(4S)-4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione
InChI:
InChI=1S/C13H13NO5/c1-2-13(18)8-5-9-10(15)3-4-14(9)11(16)7(8)6-19-12(13)17/h5,18H,2-4,6H2,1H3/t13-/m0/s1
InChI Key:
IGKWOGMVAOYVSJ-ZDUSSCGKSA-N
SMILES:
CC[C@@]1(O)C(=O)OCc2c1cc1C(=O)CCn1c2=O
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
263.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.249g/mol
Monoisotopic Mass:
263.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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