CAS 2393-18-2 | 4-Aminocinnamic acid | CAS Number 2393-18-2

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2393-18-2 | 4-Aminocinnamic acid

CAS No: 2393-18-2 Catalog No: AG0033WL MDL No:MFCD00017117

Product Description

Catalog Number:

AG0033WL

Chemical Name:

4-Aminocinnamic acid

CAS Number:

2393-18-2

Molecular Formula:

C9H9NO2

Molecular Weight:

163.1733

MDL Number:

MFCD00017117

IUPAC Name:

(E)-3-(4-aminophenyl)prop-2-enoic acid

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+

InChI Key:

JOLPMPPNHIACPD-ZZXKWVIFSA-N

SMILES:

OC(=O)C=Cc1ccc(cc1)N

EC Number:

219-246-7

NSC Number:

1780

Properties

Complexity:

181

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.176g/mol

Monoisotopic Mass:

163.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A).	Bioorganic & medicinal chemistry letters 20110501
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101