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Home > Indoles and Oxindole > 20871-40-3
20871-40-3 | 1H-Isoindol-1-one, 3-butylidene-2,3-dihydro-
CAS No: 20871-40-3 Catalog No: AG002JUJ MDL No:
Product Description
Catalog Number:
AG002JUJ
Chemical Name:
1H-Isoindol-1-one, 3-butylidene-2,3-dihydro-
CAS Number:
20871-40-3
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
3-butylideneisoindol-1-one
InChI:
InChI=1S/C12H13NO/c1-2-3-8-11-9-6-4-5-7-10(9)12(14)13-11/h4-8H,2-3H2,1H3,(H,13,14)
InChI Key:
XOWBEICOULYQAT-UHFFFAOYSA-N
SMILES:
CCCC=C1NC(=O)c2c1cccc2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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