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Home > Imidazoles > 745001-73-4
745001-73-4 | 2-IMIDAZOL-1-YL-3-METHYL-BUTYRIC ACID
CAS No: 745001-73-4 Catalog No: AG00FE1Z MDL No:MFCD08668217
Product Description
Catalog Number:
AG00FE1Z
Chemical Name:
2-IMIDAZOL-1-YL-3-METHYL-BUTYRIC ACID
CAS Number:
745001-73-4
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD08668217
IUPAC Name:
2-imidazol-1-yl-3-methylbutanoic acid
InChI:
InChI=1S/C8H12N2O2/c1-6(2)7(8(11)12)10-4-3-9-5-10/h3-7H,1-2H3,(H,11,12)
InChI Key:
GXCYGUNYRIGUQX-UHFFFAOYSA-N
SMILES:
CC(C(n1cncc1)C(=O)O)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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