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Home > Imidazoles > 683816-01-5
683816-01-5 | 3-(1H-IMIDAZOL-2-YL)-ACRYLIC ACID
CAS No: 683816-01-5 Catalog No: AG00640Y MDL No:
Product Description
Catalog Number:
AG00640Y
Chemical Name:
3-(1H-IMIDAZOL-2-YL)-ACRYLIC ACID
CAS Number:
683816-01-5
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
IUPAC Name:
(E)-3-(1H-imidazol-2-yl)prop-2-enoic acid
InChI:
InChI=1S/C6H6N2O2/c9-6(10)2-1-5-7-3-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
InChI Key:
BLNMENZGNYPNEL-OWOJBTEDSA-N
SMILES:
OC(=O)C=Cc1ncc[nH]1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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