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83395-38-4 | 1H-IMIDAZOLE-1-CARBOXYLIC ACID 2-PROPYNYL ESTER
CAS No: 83395-38-4 Catalog No: AG004VPY MDL No:
Product Description
Catalog Number:
AG004VPY
Chemical Name:
1H-IMIDAZOLE-1-CARBOXYLIC ACID 2-PROPYNYL ESTER
CAS Number:
83395-38-4
Molecular Formula:
C7H6N2O2
Molecular Weight:
150.1347
IUPAC Name:
prop-2-ynyl imidazole-1-carboxylate
InChI:
InChI=1S/C7H6N2O2/c1-2-5-11-7(10)9-4-3-8-6-9/h1,3-4,6H,5H2
InChI Key:
LLVCOZOEWQQTAV-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)n1cncc1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.043g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.137g/mol
Monoisotopic Mass:
150.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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