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1698981-85-9 | 1-(oxan-3-yl)-1H-imidazole-4-carboxylic acid
CAS No: 1698981-85-9 Catalog No: AG01BLX8 MDL No:MFCD31425399
Product Description
Catalog Number:
AG01BLX8
Chemical Name:
1-(oxan-3-yl)-1H-imidazole-4-carboxylic acid
CAS Number:
1698981-85-9
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD31425399
IUPAC Name:
1-(oxan-3-yl)imidazole-4-carboxylic acid
InChI:
InChI=1S/C9H12N2O3/c12-9(13)8-4-11(6-10-8)7-2-1-3-14-5-7/h4,6-7H,1-3,5H2,(H,12,13)
InChI Key:
WHDAZTCMMJUZDS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncn(c1)C1CCCOC1
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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