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AD 5

CAT: 0931-T29633-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29633-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
92455-12-4
Target
Others
Related Pathways
Others
Bioactivity
AD 5 is a bioactive chemical.
Smiles
COC1=CC=C(CC(=O)NC(=C)C(O)=O)C=C1
Molecular Formula
C12H13NO4
Molecular Weight
235.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-
CAS Number92455-12-4
PubChem CID130300
IUPAC Name2-[[2-(4-methoxyphenyl)acetyl]amino]prop-2-enoic acid
Molecular FormulaC12H13NO4
Molecular Weight235.24
XLogP1.3
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity306
SMILES
COC1=CC=C(C=C1)CC(=O)NC(=C)C(=O)O
InChI
InChI=1S/C12H13NO4/c1-8(12(15)16)13-11(14)7-9-3-5-10(17-2)6-4-9/h3-6H,1,7H2,2H3,(H,13,14)(H,15,16)
InChIKey
DNBSASOCQLUZFR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Propenoic acid, 2-(((4-methoxyphenyl)acetyl)amino)-
CAS: 92455-12-4
CID: 130300
Formula: C12H13NO4
MW: 235.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.24
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass235.08445790
Monoisotopic Mass235.08445790
Topological Polar Surface Area75.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity306
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

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