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1691230-03-1 | 1-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid
CAS No: 1691230-03-1 Catalog No: AG01BLX4 MDL No:MFCD31425387
Product Description
Catalog Number:
AG01BLX4
Chemical Name:
1-(oxolan-3-yl)-1H-imidazole-4-carboxylic acid
CAS Number:
1691230-03-1
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD31425387
IUPAC Name:
1-(oxolan-3-yl)imidazole-4-carboxylic acid
InChI:
InChI=1S/C8H10N2O3/c11-8(12)7-3-10(5-9-7)6-1-2-13-4-6/h3,5-6H,1-2,4H2,(H,11,12)
InChI Key:
PGYWEQIPESPBEW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncn(c1)C1COCC1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/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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