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Home > Indoles and Oxindole > 113917-64-9
113917-64-9 | Carbamic acid, [(1,3-dihydro-1-methyl-3-oxo-2H-indol-2-ylidene)methyl](4-methoxyphenyl)-, methyl ester, (E)- (9CI)
CAS No: 113917-64-9 Catalog No: AG000A2L MDL No:
Product Description
Catalog Number:
AG000A2L
Chemical Name:
Carbamic acid, [(1,3-dihydro-1-methyl-3-oxo-2H-indol-2-ylidene)methyl](4-methoxyphenyl)-, methyl ester, (E)- (9CI)
CAS Number:
113917-64-9
Molecular Formula:
C19H18N2O4
Molecular Weight:
338.3572
IUPAC Name:
methyl 2-(3-hydroxy-1-methylindol-2-yl)-2-(4-methoxyphenyl)iminoacetate
InChI:
InChI=1S/C19H18N2O4/c1-21-15-7-5-4-6-14(15)18(22)17(21)16(19(23)25-3)20-12-8-10-13(24-2)11-9-12/h4-11,22H,1-3H3
InChI Key:
XYFCXYDFVCJAHD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(C(=O)OC)/C=C\1/N(C)c2c(C1=O)cccc2
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.363g/mol
Monoisotopic Mass:
338.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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