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Angiogenesis Inhibitor

CAT: 0572-TRC-A637973-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A637973-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
186611-44-9
Hazard Statement
No Data Available
Smiles
O=C1Nc2ccccc2/C/1=C/c3c[nH]cn3
Molecular Formula
C12 H9 N3 O
Molecular Weight
211.219
InChI
InChI=1S/C12H9N3O/c16-12-10(5-8-6-13-7-14-8)9-3-1-2-4-11(9)15-12/h1-7H,(H,13,14)(H,15,16)/b10-5-
Additionnal Information
IUPAC name: (3Z)-3-(1H-imidazol-4-ylmethylidene)-1H-indol-2-one
Shipping Conditions
Room Temperature

Chemical Information

(3E)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one

3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one is a member of indoles.

CAS Number186611-44-9
PubChem CID6419833
IUPAC Name(3E)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
Molecular FormulaC12H9N3O
Molecular Weight211.22
XLogP1.1
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity326
SMILES
C1=CC=C2C(=C1)/C(=C\C3=CN=CN3)/C(=O)N2
InChI
InChI=1S/C12H9N3O/c16-12-10(5-8-6-13-7-14-8)9-3-1-2-4-11(9)15-12/h1-7H,(H,13,14)(H,15,16)/b10-5+
InChIKey
VEEGZPWAAPPXRB-BJMVGYQFSA-N
Chemical Structure
2D Structure
2D structure of (3E)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
CAS: 186611-44-9
CID: 6419833
Formula: C12H9N3O
MW: 211.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.22
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass211.074561919
Monoisotopic Mass211.074561919
Topological Polar Surface Area57.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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