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

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

CAS No.:
873811-55-3
Catalog Number:
AG019P67
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
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Product Description
Catalog Number:
AG019P67
Chemical Name:
(2E)-3-[4-(carbamoylmethoxy)phenyl]prop-2-enoic acid
CAS Number:
873811-55-3
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD02256074
IUPAC Name:
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C11H11NO4/c12-10(13)7-16-9-4-1-8(2-5-9)3-6-11(14)15/h1-6H,7H2,(H2,12,13)(H,14,15)/b6-3+
InChI Key:
OTKIEOABDRSFOB-ZZXKWVIFSA-N
SMILES:
NC(=O)COc1ccc(cc1)/C=C/C(=O)O
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties