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Home > Imidazoles > 1341299-80-6
1341299-80-6 | 2-[(1H-imidazol-1-yl)methyl]prop-2-enoic acid
CAS No: 1341299-80-6 Catalog No: AG01B6ZR MDL No:MFCD19656006
Product Description
Catalog Number:
AG01B6ZR
Chemical Name:
2-[(1H-imidazol-1-yl)methyl]prop-2-enoic acid
CAS Number:
1341299-80-6
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD19656006
IUPAC Name:
2-(imidazol-1-ylmethyl)prop-2-enoic acid
InChI:
InChI=1S/C7H8N2O2/c1-6(7(10)11)4-9-3-2-8-5-9/h2-3,5H,1,4H2,(H,10,11)
InChI Key:
LVGCMSHXFMYULB-UHFFFAOYSA-N
SMILES:
OC(=O)C(=C)Cn1cncc1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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