Nintedanib Impurity 123

CAT: 1299-RM-N140523-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-N140523-01Size:10 mg

Selected

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

Quick Request Actions

CAS Number

334952-09-9

Synonyms

2-oxoindoline-6-carboxylic acid

Molecular Formula

C9H7NO3

Molecular Weight

177.16

Target Alternative Name

Nintedanib

Chemical Information

2-Oxo-1,3-dihydroindole-6-carboxylic acid

CAS Number	334952-09-9
PubChem CID	7213323
IUPAC Name	2-oxo-1,3-dihydroindole-6-carboxylic acid
Molecular Formula	C9H7NO3
Molecular Weight	177.16
XLogP	0.7
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	251

SMILES

C1C2=C(C=C(C=C2)C(=O)O)NC1=O

InChI

InChI=1S/C9H7NO3/c11-8-4-5-1-2-6(9(12)13)3-7(5)10-8/h1-3H,4H2,(H,10,11)(H,12,13)

InChIKey

IIKVTJWRBSYRSA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 334952-09-9

CID: 7213323

Formula: C9H7NO3

MW: 177.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.16
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	177.042593085
Monoisotopic Mass	177.042593085
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	251
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