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1439896-85-1 | 6-(2-Methoxyethoxy)pyrimidine-4-carboxylic acid
CAS No: 1439896-85-1 Catalog No: AG01F9UR MDL No:
Product Description
Catalog Number:
AG01F9UR
Chemical Name:
6-(2-Methoxyethoxy)pyrimidine-4-carboxylic acid
CAS Number:
1439896-85-1
Molecular Formula:
C8H10N2O4
Molecular Weight:
198.1760
IUPAC Name:
6-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C8H10N2O4/c1-13-2-3-14-7-4-6(8(11)12)9-5-10-7/h4-5H,2-3H2,1H3,(H,11,12)
InChI Key:
GXXHHMLVOAWDOM-UHFFFAOYSA-N
SMILES:
COCCOc1cc(ncn1)C(=O)O
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.178g/mol
Monoisotopic Mass:
198.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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