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149096-32-2 | 1H-Imidazole-4-carboxylic acid, 1-propyl-, methyl ester
CAS No: 149096-32-2 Catalog No: AG001LD4 MDL No:
Product Description
Catalog Number:
AG001LD4
Chemical Name:
1H-Imidazole-4-carboxylic acid, 1-propyl-, methyl ester
CAS Number:
149096-32-2
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
methyl 1-propylimidazole-4-carboxylate
InChI:
InChI=1S/C8H12N2O2/c1-3-4-10-5-7(9-6-10)8(11)12-2/h5-6H,3-4H2,1-2H3
InChI Key:
KICWFSNTRRTWKU-UHFFFAOYSA-N
SMILES:
CCCn1cnc(c1)C(=O)OC
Properties
Complexity:
161
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:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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