Sunitinib Impurity 72

CAT: 1299-RM-S142072-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-S142072-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

58298-68-3

Synonyms

Methyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Molecular Formula

C9H11NO3

Molecular Weight

181.19

Target Alternative Name

Sunitinib

Product Name Synonym

Methyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Chemical Information

methyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

CAS Number	58298-68-3
PubChem CID	12270185
IUPAC Name	methyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Molecular Formula	C9H11NO3
Molecular Weight	181.19
XLogP	1.1
Topological Polar Surface Area	59.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	217

SMILES

CC1=C(NC(=C1C(=O)OC)C)C=O

InChI

InChI=1S/C9H11NO3/c1-5-7(4-11)10-6(2)8(5)9(12)13-3/h4,10H,1-3H3

InChIKey

ULZHXHJRMZVHSB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 58298-68-3

CID: 12270185

Formula: C9H11NO3

MW: 181.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	181.19
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	181.07389321
Monoisotopic Mass	181.07389321
Topological Polar Surface Area	59.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	217
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