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CAT: 0862-GW0448-250mgSize: 250 mgDry Ice: NoHazardous: No

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CAT#:0862-GW0448-250mgSize:250 mg

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

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CAS Number

163556-04-5

Storage Conditions

-20°C

Hazardous Class

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Chemical Information

Methyl 3,5-diformylindolizine-1-carboxylate

CAS Number	163556-04-5
PubChem CID	3601340
IUPAC Name	methyl 3,5-diformylindolizine-1-carboxylate
Molecular Formula	C12H9NO4
Molecular Weight	231.20
XLogP	1.9
Topological Polar Surface Area	64.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	330

SMILES

COC(=O)C1=C2C=CC=C(N2C(=C1)C=O)C=O

InChI

InChI=1S/C12H9NO4/c1-17-12(16)10-5-9(7-15)13-8(6-14)3-2-4-11(10)13/h2-7H,1H3

InChIKey

ROYXGFIJSNOFGY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 163556-04-5

CID: 3601340

Formula: C12H9NO4

MW: 231.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.20
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	231.05315777
Monoisotopic Mass	231.05315777
Topological Polar Surface Area	64.9 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	330
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

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