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Home > Indoles and Oxindole > 194093-31-7
194093-31-7 | methyl (2E)-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)but-2-enoate
CAS No: 194093-31-7 Catalog No: AG00PEWD MDL No:MFCD12923008
Product Description
Catalog Number:
AG00PEWD
Chemical Name:
methyl (2E)-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)but-2-enoate
CAS Number:
194093-31-7
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
MDL Number:
MFCD12923008
IUPAC Name:
methyl (E)-4-(1,3-dioxoisoindol-2-yl)but-2-enoate
InChI:
InChI=1S/C13H11NO4/c1-18-11(15)7-4-8-14-12(16)9-5-2-3-6-10(9)13(14)17/h2-7H,8H2,1H3/b7-4+
InChI Key:
LLDZOOUNGYCZSH-QPJJXVBHSA-N
SMILES:
COC(=O)/C=C/CN1C(=O)c2c(C1=O)cccc2
NSC Number:
134468
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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