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70346-52-0 | 3-(1-methyl-1H-imidazol-5-yl)prop-2-enoic acid
CAS No: 70346-52-0 Catalog No: AG01AEYE MDL No:MFCD06205500
Product Description
Catalog Number:
AG01AEYE
Chemical Name:
3-(1-methyl-1H-imidazol-5-yl)prop-2-enoic acid
CAS Number:
70346-52-0
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD06205500
IUPAC Name:
3-(3-methylimidazol-4-yl)prop-2-enoic acid
InChI:
InChI=1S/C7H8N2O2/c1-9-5-8-4-6(9)2-3-7(10)11/h2-5H,1H3,(H,10,11)
InChI Key:
NMRLUTUNCWBWCC-UHFFFAOYSA-N
SMILES:
Cn1cncc1C=CC(=O)O
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:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0
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