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1005134-08-6 | 4,7-Methano-2H-isoindole-2-acetic acid, 1,3,3a,4,7,7a-hexahydro-3a-methyl-1,3-dioxo-
CAS No: 1005134-08-6 Catalog No: AG00027E MDL No:MFCD05990278
Product Description
Catalog Number:
AG00027E
Chemical Name:
4,7-Methano-2H-isoindole-2-acetic acid, 1,3,3a,4,7,7a-hexahydro-3a-methyl-1,3-dioxo-
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
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
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