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88634-90-6 | 2-Propenoic acid, 3-(5-methyl-1H-imidazol-4-yl)-
CAS No: 88634-90-6 Catalog No: AG004BGX MDL No:
Product Description
Catalog Number:
AG004BGX
Chemical Name:
2-Propenoic acid, 3-(5-methyl-1H-imidazol-4-yl)-
CAS Number:
88634-90-6
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
IUPAC Name:
3-(5-methyl-1H-imidazol-4-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H8N2O2/c1-5-6(9-4-8-5)2-3-7(10)11/h2-4H,1H3,(H,8,9)(H,10,11)
InChI Key:
XTMSURALGGKSHL-UHFFFAOYSA-N
SMILES:
Cc1c(C=CC(=O)O)nc[nH]1
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:
2
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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