Acitazanolast

CAT: 0127-BUP11458Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP11458Size:25 mg

Selected

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

Quick Request Actions

CAS Number

114607-46-4

Synonyms

MTCC, WP-871

Purity

=98%

Smiles

OC(=O)C(=O)Nc1cccc(c1)-c1nnn[nH]1

Chemical Information

Acitazanolast

Acitazanolast is a member of tetrazoles.

CAS Number	114607-46-4
PubChem CID	2006
IUPAC Name	2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetic acid
Molecular Formula	C9H7N5O3
Molecular Weight	233.18
XLogP	0.3
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	311

SMILES

C1=CC(=CC(=C1)NC(=O)C(=O)O)C2=NNN=N2

InChI

InChI=1S/C9H7N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)(H,11,12,13,14)

InChIKey

VWQZJJZGISNFOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 114607-46-4

CID: 2006

Formula: C9H7N5O3

MW: 233.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.18
XLogP3	0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	233.05488910
Monoisotopic Mass	233.05488910
Topological Polar Surface Area	121 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	311
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