3-Acrylamidobenzoic acid

CAT: 0127-OR1005654-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1005654-01Size:250 mg

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CAS Number

17090-28-7

Purity

98%

Smiles

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

Chemical Information

3-(Prop-2-enamido)benzoic acid

CAS Number	17090-28-7
PubChem CID	15157144
IUPAC Name	3-(prop-2-enoylamino)benzoic acid
Molecular Formula	C10H9NO3
Molecular Weight	191.18
XLogP	1.9
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	250

SMILES

C=CC(=O)NC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C10H9NO3/c1-2-9(12)11-8-5-3-4-7(6-8)10(13)14/h2-6H,1H2,(H,11,12)(H,13,14)

InChIKey

CQGQDOGZDYSFGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17090-28-7

CID: 15157144

Formula: C10H9NO3

MW: 191.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.18
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	191.058243149
Monoisotopic Mass	191.058243149
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	250
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
OR1035396-01	4-Acrylamidobenzoic acid
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OR1010741-01	3,3’-Disulfanediyldibenzoic Acid
OR317125-01	3,3-Dimethylcyclobutanecarboxylic acid
OR350117-01	3,3-Diphenylpropionic acid
PC6057	3,3-Difluoroglutaric acid
OR306499	3,3-Dimethylcyclopentanecarboxylic acid

Catalog	Name
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C7173-500	3,3-Dimethylglutaric acid
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FAA96183-01	3,3-oxydipropanoic acid
TRC-D445368-10MG	3,3-Difluorocyclopentanecarboxylic Acid
TRC-D491725-25G	3,3-Diphenylpropionic Acid
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sc-276430	3,3-difluoropentanedioic acid