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111949-75-8 | 3-Buten-2-one, 4-(1H-indol-4-yl)-1-methoxy-, (E)-
CAS No: 111949-75-8 Catalog No: AG007V92 MDL No:
Product Description
Catalog Number:
AG007V92
Chemical Name:
3-Buten-2-one, 4-(1H-indol-4-yl)-1-methoxy-, (E)-
CAS Number:
111949-75-8
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
4-(1H-indol-4-yl)-1-methoxybut-3-en-2-one
InChI:
InChI=1S/C13H13NO2/c1-16-9-11(15)6-5-10-3-2-4-13-12(10)7-8-14-13/h2-8,14H,9H2,1H3
InChI Key:
VRAWUWJOCCTNIF-UHFFFAOYSA-N
SMILES:
COCC(=O)/C=C/c1cccc2c1cc[nH]2
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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