Home Carboxys 1-(cyclopropylmethyl)-1H-indole-2-carboxylic acid

1-(cyclopropylmethyl)-1H-indole-2-carboxylic acid

CAS No.:
1483284-21-4
Catalog Number:
AG01BDC8
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
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Product Description
Catalog Number:
AG01BDC8
Chemical Name:
1-(cyclopropylmethyl)-1H-indole-2-carboxylic acid
CAS Number:
1483284-21-4
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD20185192
IUPAC Name:
1-(cyclopropylmethyl)indole-2-carboxylic acid
InChI:
InChI=1S/C13H13NO2/c15-13(16)12-7-10-3-1-2-4-11(10)14(12)8-9-5-6-9/h1-4,7,9H,5-6,8H2,(H,15,16)
InChI Key:
RYMNGKMARFHRAS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(n1CC1CC1)cccc2
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties