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1005134-08-6,MFCD05990278
Catalog No.:AA00024M
1005134-08-6 | (2-Methyl-3,5-dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-4-yl)acetic acid
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5g
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$212.00   $148.00
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Technical Information
Catalog Number:
AA00024M
Chemical Name:
(2-Methyl-3,5-dioxo-4-azatricyclo[5.2.1.0(2,6)]dec-8-en-4-yl)acetic acid
CAS Number:
1005134-08-6
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD05990278
IUPAC Name:
2-(2-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetic acid
InChI:
InChI=1S/C12H13NO4/c1-12-7-3-2-6(4-7)9(12)10(16)13(11(12)17)5-8(14)15/h2-3,6-7,9H,4-5H2,1H3,(H,14,15)
InChI Key:
KLXUFFRUHFHLGC-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=O)C2C(C1=O)(C)C1CC2C=C1
Properties
Computed Properties
 
Complexity:
469  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Synonyms
 
1005134-08-6 
(2-METHYL-3,5-DIOXO-4-AZATRICYCLO[5.2.1.0~2,6~]DEC-8-EN-4-YL)ACETIC ACID 
2-(3A-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)acetic acid 
Y-2003 
SR-01000277305 
SR-01000277305-1 
(2-Methyl-3,5-dioxo-4-azatricyclo[5.2.1.0>2,6>]dec-8-en-4-yl)acetic acid 
(3a-Methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetic acid 
4,7-Methano-2H-isoindole-2-acetic acid, 1,3,3a,4,7,7a-hexahydro-3a-methyl-1,3-dioxo- 
CID2956064 
CID 6594225 
AC1MG61K 
CTK3J9030 
DTXSID90387978 
ZX-CM017499 
MFCD05990278 
AKOS001714338 
AKOS022185097 
MCULE-2073375275 
Literature
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