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Home > Imidazoles > 848133-10-8
848133-10-8 | 2-Butenoic acid,4-(1H-imidazol-5-yl)-, hydrochloride (1:1), (2E)-
CAS No: 848133-10-8 Catalog No: AG004NF9 MDL No:MFCD09039170
Product Description
Catalog Number:
AG004NF9
Chemical Name:
2-Butenoic acid,4-(1H-imidazol-5-yl)-, hydrochloride (1:1), (2E)-
CAS Number:
848133-10-8
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD09039170
IUPAC Name:
4-(1H-imidazol-5-yl)but-2-enoic acid
InChI:
InChI=1S/C7H8N2O2/c10-7(11)3-1-2-6-4-8-5-9-6/h1,3-5H,2H2,(H,8,9)(H,10,11)
InChI Key:
MXSQSIOULZCQTD-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/Cc1c[nH]cn1
Properties
Complexity:
168
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:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.3
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