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122268-35-3 | L-Proline, 1-(3,4-dioxo-1,5-cyclohexadien-1-yl)-
CAS No: 122268-35-3 Catalog No: AG00171E MDL No:
Product Description
Catalog Number:
AG00171E
Chemical Name:
L-Proline, 1-(3,4-dioxo-1,5-cyclohexadien-1-yl)-
CAS Number:
122268-35-3
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
IUPAC Name:
(2S)-1-(3,4-dioxocyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H11NO4/c13-9-4-3-7(6-10(9)14)12-5-1-2-8(12)11(15)16/h3-4,6,8H,1-2,5H2,(H,15,16)/t8-/m0/s1
InChI Key:
BGOKIEHCWSCUBQ-QMMMGPOBSA-N
SMILES:
OC(=O)[C@@H]1CCCN1C1=CC(=O)C(=O)C=C1
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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