Home Carboxys 1H-Indole-2-carboxylic acid, 1-(2-methoxyethyl)-

1H-Indole-2-carboxylic acid, 1-(2-methoxyethyl)-

CAS No.:
136382-30-4
Catalog Number:
AG00HULP
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
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Product Description
Catalog Number:
AG00HULP
Chemical Name:
1H-Indole-2-carboxylic acid, 1-(2-methoxyethyl)-
CAS Number:
136382-30-4
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD06800919
IUPAC Name:
1-(2-methoxyethyl)indole-2-carboxylic acid
InChI:
InChI=1S/C12H13NO3/c1-16-7-6-13-10-5-3-2-4-9(10)8-11(13)12(14)15/h2-5,8H,6-7H2,1H3,(H,14,15)
InChI Key:
CBXBQARTZXRIHH-UHFFFAOYSA-N
SMILES:
COCCn1c(cc2c1cccc2)C(=O)O
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties