200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1015846-77-1
1015846-77-1 | 1H-Indole-2-carboxylic acid, 1,3,7-trimethyl-
CAS No: 1015846-77-1 Catalog No: AG0004WN MDL No:MFCD09971315
Product Description
Catalog Number:
AG0004WN
Chemical Name:
1H-Indole-2-carboxylic acid, 1,3,7-trimethyl-
CAS Number:
1015846-77-1
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD09971315
IUPAC Name:
1,3,7-trimethylindole-2-carboxylic acid
InChI:
InChI=1S/C12H13NO2/c1-7-5-4-6-9-8(2)11(12(14)15)13(3)10(7)9/h4-6H,1-3H3,(H,14,15)
InChI Key:
QDDROSFAMVNTTI-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(C)c2c(n1C)c(C)ccc2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.