Home Other Building Blocks 3-[4-(methylcarbamoyl)phenyl]prop-2-enoic acid

3-[4-(methylcarbamoyl)phenyl]prop-2-enoic acid

CAS No.:
179627-11-3
Catalog Number:
AG019L8F
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
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Product Description
Catalog Number:
AG019L8F
Chemical Name:
3-[4-(methylcarbamoyl)phenyl]prop-2-enoic acid
CAS Number:
179627-11-3
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD06797692
IUPAC Name:
(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C11H11NO3/c1-12-11(15)9-5-2-8(3-6-9)4-7-10(13)14/h2-7H,1H3,(H,12,15)(H,13,14)/b7-4+
InChI Key:
DPBKEHKMLPTJFE-QPJJXVBHSA-N
SMILES:
CNC(=O)c1ccc(cc1)C=CC(=O)O
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties