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Home > Imidazoles > 688728-96-3
688728-96-3 | 1H-Imidazole-4-butanimidic acid, methyl ester (9CI)
CAS No: 688728-96-3 Catalog No: AG00FRP6 MDL No:
Product Description
Catalog Number:
AG00FRP6
Chemical Name:
1H-Imidazole-4-butanimidic acid, methyl ester (9CI)
CAS Number:
688728-96-3
IUPAC Name:
methyl 4-(1H-imidazol-5-yl)butanimidate
InChI:
InChI=1S/C8H13N3O/c1-12-8(9)4-2-3-7-5-10-6-11-7/h5-6,9H,2-4H2,1H3,(H,10,11)
InChI Key:
MMZDWHKDNQLWFG-UHFFFAOYSA-N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.106g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.212g/mol
Monoisotopic Mass:
167.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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