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Home > Indoles and Oxindole > 70458-61-6
70458-61-6 | 5-METHYL-2-(1H-TETRAAZOL-5-YL)PYRANO[3,2-B]INDOL-4(5H)-ONE
CAS No: 70458-61-6 Catalog No: AG005UMS MDL No:
Product Description
Catalog Number:
AG005UMS
Chemical Name:
5-METHYL-2-(1H-TETRAAZOL-5-YL)PYRANO[3,2-B]INDOL-4(5H)-ONE
CAS Number:
70458-61-6
Molecular Formula:
C13H9N5O2
Molecular Weight:
267.2429
IUPAC Name:
5-methyl-2-(2H-tetrazol-5-yl)pyrano[3,2-b]indol-4-one
InChI:
InChI=1S/C13H9N5O2/c1-18-8-5-3-2-4-7(8)12-11(18)9(19)6-10(20-12)13-14-16-17-15-13/h2-6H,1H3,(H,14,15,16,17)
InChI Key:
NPXNAEKNDFKQAM-UHFFFAOYSA-N
SMILES:
O=c1cc(oc2c1n(C)c1c2cccc1)c1nnn[nH]1
UNII:
NP0EPP56BQ
NSC Number:
371661
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.076g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.248g/mol
Monoisotopic Mass:
267.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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