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MS15203

CAT: 0607-B8782-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B8782-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73912-52-4
Product Name Alternative
5-methacrylamidoisophthalic acid
Sequence
MS0015203
Purity
0.98
Solubility
Soluble in DMSO
Smiles
CC(C(NC1=CC(C(O)=O)=CC(C(O)=O)=C1)=O)=C
Molecular Formula
C12H11NO5
Molecular Weight
249.22
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

MS0015203

a GPR71 antagonist; structure in first source

CAS Number73912-52-4
PubChem CID773544
IUPAC Name5-(2-methylprop-2-enoylamino)benzene-1,3-dicarboxylic acid
Molecular FormulaC12H11NO5
Molecular Weight249.22
XLogP1.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity368
SMILES
CC(=C)C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C12H11NO5/c1-6(2)10(14)13-9-4-7(11(15)16)3-8(5-9)12(17)18/h3-5H,1H2,2H3,(H,13,14)(H,15,16)(H,17,18)
InChIKey
NVOBVSWSDYFEMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MS0015203
CAS: 73912-52-4
CID: 773544
Formula: C12H11NO5
MW: 249.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.22
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass249.06372245
Monoisotopic Mass249.06372245
Topological Polar Surface Area104 Ų
Heavy Atom Count18
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-116797-01MS15203

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