AD 20

CAT: 0931-T23627-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T23627-01Size:25 mg

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

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CAS Number

111542-07-5

Target

Others

Related Pathways

Others

Bioactivity

AD 20 is designed to reduce toxicity. It also enhances the activity of anticancer drugs.

Smiles

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

Molecular Formula

C12H13NO4

Molecular Weight

235.24

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

AD 20

designed to reduce toxicity or enhance activity of anticancer drugs

CAS Number	111542-07-5
PubChem CID	159468
IUPAC Name	2-[[2-(2-methoxyphenyl)acetyl]amino]prop-2-enoic acid
Molecular Formula	C12H13NO4
Molecular Weight	235.24
XLogP	1.3
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	314

SMILES

COC1=CC=CC=C1CC(=O)NC(=C)C(=O)O

InChI

InChI=1S/C12H13NO4/c1-8(12(15)16)13-11(14)7-9-5-3-4-6-10(9)17-2/h3-6H,1,7H2,2H3,(H,13,14)(H,15,16)

InChIKey

JJLSSLSXTRMIGR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 111542-07-5

CID: 159468

Formula: C12H13NO4

MW: 235.24

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	235.24
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	235.08445790
Monoisotopic Mass	235.08445790
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	314
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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AD 20

Chemical Information

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