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22949-13-9 | 1H-Indole-3-propanoic acid, 1-acetyl-
CAS No: 22949-13-9 Catalog No: AG002LML MDL No:
Product Description
Catalog Number:
AG002LML
Chemical Name:
1H-Indole-3-propanoic acid, 1-acetyl-
CAS Number:
22949-13-9
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
3-(1-acetylindol-3-yl)propanoic acid
InChI:
InChI=1S/C13H13NO3/c1-9(15)14-8-10(6-7-13(16)17)11-4-2-3-5-12(11)14/h2-5,8H,6-7H2,1H3,(H,16,17)
InChI Key:
DXQFXWYBFSJKRK-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cn(c2c1cccc2)C(=O)C
NSC Number:
308002
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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