Home Other Building Blocks 4-(hexa-2,4-dienamido)benzoic acid

4-(hexa-2,4-dienamido)benzoic acid

CAS No.:
945155-13-5
Catalog Number:
AG01B9N0
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B9N0
Chemical Name:
4-(hexa-2,4-dienamido)benzoic acid
CAS Number:
945155-13-5
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
IUPAC Name:
4-(hexa-2,4-dienoylamino)benzoic acid
InChI:
InChI=1S/C13H13NO3/c1-2-3-4-5-12(15)14-11-8-6-10(7-9-11)13(16)17/h2-9H,1H3,(H,14,15)(H,16,17)
InChI Key:
FYCRGIYUOLGKQR-UHFFFAOYSA-N
SMILES:
CC=CC=CC(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2  
XLogP3:
2.8  
Properties