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Home > Indoles and Oxindole > 830-96-6
830-96-6 | 3-Indolepropionic acid
CAS No: 830-96-6 Catalog No: AG0033QE MDL No:MFCD00005660
Product Description
Catalog Number:
AG0033QE
Chemical Name:
3-Indolepropionic acid
CAS Number:
830-96-6
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00005660
IUPAC Name:
3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
InChI Key:
GOLXRNDWAUTYKT-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c[nH]c2c1cccc2
EC Number:
212-600-1
UNII:
JF49U1Q7KN
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:
1.8
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