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(E) -3- (4-Aminophenyl) acrylic acid

CAT: 0127-OR1024742-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1024742-01Size:1 g
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CAS Number
17570-30-8
Synonyms
(E) -3- (4-aminophenyl) prop-2-enoic acid
Purity
98%
Smiles
C1=CC(=CC=C1/C=C/C(=O)O)N

Chemical Information

p-Aminocinnamic acid
CAS Number17570-30-8
PubChem CID1549514
IUPAC Name(E)-3-(4-aminophenyl)prop-2-enoic acid
Molecular FormulaC9H9NO2
Molecular Weight163.17
XLogP1.1
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity181
SMILES
C1=CC(=CC=C1/C=C/C(=O)O)N
InChI
InChI=1S/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)/b6-3+
InChIKey
JOLPMPPNHIACPD-ZZXKWVIFSA-N
Chemical Structure
2D Structure
2D structure of p-Aminocinnamic acid
CAS: 17570-30-8
CID: 1549514
Formula: C9H9NO2
MW: 163.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.17
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass163.063328530
Monoisotopic Mass163.063328530
Topological Polar Surface Area63.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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