Home Aminos [4-(Butyrylamino)phenyl]acetic acid

[4-(Butyrylamino)phenyl]acetic acid

CAS No.:
89625-67-2
Catalog Number:
AG00GTPF
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00GTPF
Chemical Name:
[4-(Butyrylamino)phenyl]acetic acid
CAS Number:
89625-67-2
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
MDL Number:
MFCD08593345
IUPAC Name:
2-[4-(butanoylamino)phenyl]acetic acid
InChI:
InChI=1S/C12H15NO3/c1-2-3-11(14)13-10-6-4-9(5-7-10)8-12(15)16/h4-7H,2-3,8H2,1H3,(H,13,14)(H,15,16)
InChI Key:
QGKAUPFJFHCVPR-UHFFFAOYSA-N
SMILES:
CCCC(=O)Nc1ccc(cc1)CC(=O)O
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties