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202124-89-8 | 1H-Indole-3-acetic acid, 5-cyano-
CAS No: 202124-89-8 Catalog No: AG00282I MDL No:
Product Description
Catalog Number:
AG00282I
Chemical Name:
1H-Indole-3-acetic acid, 5-cyano-
CAS Number:
202124-89-8
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
IUPAC Name:
2-(5-cyano-1H-indol-3-yl)acetic acid
InChI:
InChI=1S/C11H8N2O2/c12-5-7-1-2-10-9(3-7)8(6-13-10)4-11(14)15/h1-3,6,13H,4H2,(H,14,15)
InChI Key:
ZOZRQPFDLUFZPO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(c[nH]2)CC(=O)O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.197g/mol
Monoisotopic Mass:
200.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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