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2756-76-5 | 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, ethenyl ester
CAS No: 2756-76-5 Catalog No: AG002U2I MDL No:
Product Description
Catalog Number:
AG002U2I
Chemical Name:
2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, ethenyl ester
CAS Number:
2756-76-5
Molecular Formula:
C12H9NO4
Molecular Weight:
231.2042
IUPAC Name:
ethenyl 2-(1,3-dioxoisoindol-2-yl)acetate
InChI:
InChI=1S/C12H9NO4/c1-2-17-10(14)7-13-11(15)8-5-3-4-6-9(8)12(13)16/h2-6H,1,7H2
InChI Key:
BDUPBVQZWCFKQY-UHFFFAOYSA-N
SMILES:
C=COC(=O)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.207g/mol
Monoisotopic Mass:
231.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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