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773131-96-7,MFCD06205691
Catalog No.:AA003HX7
773131-96-7 | 3-(2-Amino-3-pyridyl)acrylic acid
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Technical Information
Catalog Number:
AA003HX7
Chemical Name:
3-(2-Amino-3-pyridyl)acrylic acid
CAS Number:
773131-96-7
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
MDL Number:
MFCD06205691
IUPAC Name:
(E)-3-(2-aminopyridin-3-yl)prop-2-enoic acid
InChI:
InChI=1S/C8H8N2O2/c9-8-6(2-1-5-10-8)3-4-7(11)12/h1-5H,(H2,9,10)(H,11,12)/b4-3+
InChI Key:
HKUVFKTUMTYXQT-ONEGZZNKSA-N
SMILES:
Nc1ncccc1/C=C/C(=O)O
Properties
Computed Properties
 
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
3-(2-AMINO-3-PYRIDYL)ACRYLIC ACID 
773131-96-7 
3-(2-Amino-Pyridin-3-Yl)-Acrylic Acid 
RT-003135 
ST50826640 
(E)-3-(2-aminopyridin-3-yl)prop-2-enoic acid 
3-(2-Amino-3-pyridyl)acrylic acid, AldrichCPR 
(2E)-3-(2-amino(3-pyridyl))prop-2-enoic acid 
3-(4-aminopyridin-3-yl)acrylic acid 
MFCD06205691 
AC1Q50HA 
SCHEMBL2278693 
SCHEMBL2278695 
HKUVFKTUMTYXQT-ONEGZZNKSA-N 
ZINC12359541 
AKOS006220659 
(E)-3-(o-aminopyridin-3-yl)acrylic acid 
Literature
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