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192717-19-4 | 1H-Indole-5-propanoic acid
CAS No: 192717-19-4 Catalog No: AG002G8W MDL No:MFCD11100576
Product Description
Catalog Number:
AG002G8W
Chemical Name:
1H-Indole-5-propanoic acid
CAS Number:
192717-19-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD11100576
IUPAC Name:
3-(1H-indol-5-yl)propanoic acid
InChI:
InChI=1S/C11H11NO2/c13-11(14)4-2-8-1-3-10-9(7-8)5-6-12-10/h1,3,5-7,12H,2,4H2,(H,13,14)
InChI Key:
QLLLZURKPNGXFF-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc2c(c1)cc[nH]2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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