Actarit

CAT: 0127-OR911806-03Size: 500 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR911806-03Size:500 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

18699-02-0

MDL Number

MFCD00196165

Purity

99%

Smiles

CC(=O)Nc1ccc(CC(=O)O)cc1

Chemical Information

Actarit

Actarit is an anilide and a member of acetamides.

CAS Number	18699-02-0
PubChem CID	2018
IUPAC Name	2-(4-acetamidophenyl)acetic acid
Molecular Formula	C10H11NO3
Molecular Weight	193.20
XLogP	0.8
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	219

SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)

InChIKey

MROJXXOCABQVEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18699-02-0

CID: 2018

Formula: C10H11NO3

MW: 193.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.20
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	193.07389321
Monoisotopic Mass	193.07389321
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219
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