200,000+ products from a single source!
sales@angenechem.com
88114-69-6 | 1H-Indole-3-acetic acid, 2-methyl-1-(3-oxo-1-butenyl)-
CAS No: 88114-69-6 Catalog No: AG004IRL MDL No:
Product Description
Catalog Number:
AG004IRL
Chemical Name:
1H-Indole-3-acetic acid, 2-methyl-1-(3-oxo-1-butenyl)-
CAS Number:
88114-69-6
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
2-[2-methyl-1-(3-oxobut-1-enyl)indol-3-yl]acetic acid
InChI:
InChI=1S/C15H15NO3/c1-10(17)7-8-16-11(2)13(9-15(18)19)12-5-3-4-6-14(12)16/h3-8H,9H2,1-2H3,(H,18,19)
InChI Key:
VRIFDLHSAHPOOY-UHFFFAOYSA-N
SMILES:
CC(=O)C=Cn1c(C)c(c2c1cccc2)CC(=O)O
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.