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Home > Indoles and Oxindole > 900015-42-1
900015-42-1 | 5-methoxy-3-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-indole
CAS No: 900015-42-1 Catalog No: AG00ITLW MDL No:MFCD06496094
Product Description
Catalog Number:
AG00ITLW
Chemical Name:
5-methoxy-3-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-1H-indole
CAS Number:
900015-42-1
Molecular Formula:
C15H13N3O4
Molecular Weight:
299.2814
MDL Number:
MFCD06496094
IUPAC Name:
5-[2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
InChI:
InChI=1S/C15H13N3O4/c1-9-15(18(19)20)14(22-17-9)6-3-10-8-16-13-5-4-11(21-2)7-12(10)13/h3-8,16H,1-2H3
InChI Key:
GVPLMNVWYSXJTL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(/C=C/c1onc(c1[N+](=O)[O-])C)c[nH]2
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.286g/mol
Monoisotopic Mass:
299.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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