200,000+ products from a single source!
sales@angenechem.com
892676-98-1 | (3-BUTYRYL-1H-INDOL-1-YL)ACETIC ACID
CAS No: 892676-98-1 Catalog No: AG0041FT MDL No:MFCD08676634
Product Description
Catalog Number:
AG0041FT
Chemical Name:
(3-BUTYRYL-1H-INDOL-1-YL)ACETIC ACID
CAS Number:
892676-98-1
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD08676634
IUPAC Name:
2-(3-butanoylindol-1-yl)acetic acid
InChI:
InChI=1S/C14H15NO3/c1-2-5-13(16)11-8-15(9-14(17)18)12-7-4-3-6-10(11)12/h3-4,6-8H,2,5,9H2,1H3,(H,17,18)
InChI Key:
MWJZDOGFNNCVNW-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1cn(c2c1cccc2)CC(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.