CCI-006

CAT: 0926-SLA05342-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-SLA05342-02Size:100 mg

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

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CAS Number

292053-42-0

MDL Number

MFCD01847328

Smiles

COC (=O) C (=CC1=CC=C (O1) C2=CC=C (C=C2) S (=O) (=O) N) C#N

Molecular Formula

C15H12N2O5S

Molecular Weight

332.3 g/mol

Controlled

Chemical Information

Methyl 2-cyano-3-(5-(4-sulfamoylphenyl)furan-2-yl)acrylate

CAS Number	292053-42-0
PubChem CID	710526
IUPAC Name	methyl (E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate
Molecular Formula	C15H12N2O5S
Molecular Weight	332.3
XLogP	1.9
Topological Polar Surface Area	132
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	620

SMILES

COC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)/C#N

InChI

InChI=1S/C15H12N2O5S/c1-21-15(18)11(9-16)8-12-4-7-14(22-12)10-2-5-13(6-3-10)23(17,19)20/h2-8H,1H3,(H2,17,19,20)/b11-8+

InChIKey

VEXAKEBSBMAIOB-DHZHZOJOSA-N

Chemical Structure

2D Structure

CAS: 292053-42-0

CID: 710526

Formula: C15H12N2O5S

MW: 332.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.3
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	332.04669266
Monoisotopic Mass	332.04669266
Topological Polar Surface Area	132 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	620
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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