Home Carboxys 1-methylindoline-5-carboxylic acid

1-methylindoline-5-carboxylic acid

CAS No.:
380922-37-2
Catalog Number:
AG00D5N7
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
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Product Description
Catalog Number:
AG00D5N7
Chemical Name:
1-methylindoline-5-carboxylic acid
CAS Number:
380922-37-2
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD03672724
IUPAC Name:
1-methyl-2,3-dihydroindole-5-carboxylic acid
InChI:
InChI=1S/C10H11NO2/c1-11-5-4-7-6-8(10(12)13)2-3-9(7)11/h2-3,6H,4-5H2,1H3,(H,12,13)
InChI Key:
GRSSYQXLYOLWFY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)CCN2C
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties