MS 15203

CAT: 0127-BUP09916-06Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09916-06Size:500 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

Synonyms

MS-0015203, MS0015203

Purity

=98%

Smiles

O=C(O)C1=CC(=CC(=C1)C(=O)O)NC(=O)C(=C)C

Chemical Information

MS0015203

a GPR71 antagonist; structure in first source

CAS Number	73912-52-4
PubChem CID	773544
IUPAC Name	5-(2-methylprop-2-enoylamino)benzene-1,3-dicarboxylic acid
Molecular Formula	C12H11NO5
Molecular Weight	249.22
XLogP	1.1
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	368

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

CAS: 73912-52-4

CID: 773544

Formula: C12H11NO5

MW: 249.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.22
XLogP3	1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	249.06372245
Monoisotopic Mass	249.06372245
Topological Polar Surface Area	104 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	368
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

Catalog	Name
MBS5798096	MS 15203
TR500945	Heph Mouse shRNA Plasmid (Locus ID 15203)
TL500945V	Heph Mouse shRNA Lentiviral Particle (Locus ID 15203)
SR422245	Heph Mouse siRNA Oligo Duplex (Locus ID 15203)