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149096-35-5 | 1H-Imidazole-4-carboxylic acid, 1-propyl-
CAS No: 149096-35-5 Catalog No: AG001LD2 MDL No:MFCD07376011
Product Description
Catalog Number:
AG001LD2
Chemical Name:
1H-Imidazole-4-carboxylic acid, 1-propyl-
CAS Number:
149096-35-5
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD07376011
IUPAC Name:
1-propylimidazole-4-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-2-3-9-4-6(7(10)11)8-5-9/h4-5H,2-3H2,1H3,(H,10,11)
InChI Key:
OUYXIPLZTRNTDL-UHFFFAOYSA-N
SMILES:
CCCn1cnc(c1)C(=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:
1
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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