Butanoic acid, 1H-indol-3-yl ester


Chemical Name: Butanoic acid, 1H-indol-3-yl ester
CAS Number: 4346-15-0
Product Number: AG00DDVN(AGN-PC-0JLR3S)
Synonyms:
MDL No:
Molecular Formula: C12H13NO2
Molecular Weight: 203.2371

Identification/Properties


Computed Properties
Molecular Weight:
203.241g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
203.095g/mol
Monoisotopic Mass:
203.095g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
230
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback