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933690-82-5 | 4-(1H-imidazol-1-yl)but-2-enoic acid
CAS No: 933690-82-5 Catalog No: AG01B5H4 MDL No:
Product Description
Catalog Number:
AG01B5H4
Chemical Name:
4-(1H-imidazol-1-yl)but-2-enoic acid
CAS Number:
933690-82-5
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
IUPAC Name:
4-imidazol-1-ylbut-2-enoic acid
InChI:
InChI=1S/C7H8N2O2/c10-7(11)2-1-4-9-5-3-8-6-9/h1-3,5-6H,4H2,(H,10,11)
InChI Key:
VXWSRTMTHBTIOJ-UHFFFAOYSA-N
SMILES:
OC(=O)C=CCn1cncc1
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:
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:
1
XLogP3:
-0.1
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