3-pentylbenzeneacetic acid


Chemical Name: 3-pentylbenzeneacetic acid
CAS Number: 1002101-19-0
Product Number: AG00019D(AGN-PC-0WAKR4)
Synonyms:
MDL No:
Molecular Formula: C13H18O2
Molecular Weight: 206.2808

Identification/Properties


Computed Properties
Molecular Weight:
206.285g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
6
Exact Mass:
206.131g/mol
Monoisotopic Mass:
206.131g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
189
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


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