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122528-90-9 | 1H-Imidazole-5-propanoic acid, 2-methyl-
CAS No: 122528-90-9 Catalog No: AG0017E3 MDL No:MFCD18459244
Product Description
Catalog Number:
AG0017E3
Chemical Name:
1H-Imidazole-5-propanoic acid, 2-methyl-
CAS Number:
122528-90-9
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD18459244
IUPAC Name:
3-(2-methyl-1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C7H10N2O2/c1-5-8-4-6(9-5)2-3-7(10)11/h4H,2-3H2,1H3,(H,8,9)(H,10,11)
InChI Key:
RUQVMTOOQOOPNL-UHFFFAOYSA-N
SMILES:
Cc1ncc([nH]1)CCC(=O)O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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