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Home > Imidazoles > 7699-35-6
7699-35-6 | (Z)-3-(3H-imidazol-4-yl)prop-2-enoic acid
CAS No: 7699-35-6 Catalog No: AG008OC4 MDL No:
Product Description
Catalog Number:
AG008OC4
Chemical Name:
(Z)-3-(3H-imidazol-4-yl)prop-2-enoic acid
CAS Number:
7699-35-6
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
IUPAC Name:
(Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid
InChI:
InChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1-
InChI Key:
LOIYMIARKYCTBW-UPHRSURJSA-N
SMILES:
OC(=O)/C=C\c1cnc[nH]1
EC Number:
203-258-4
UNII:
5LM7WD7VIC
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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