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1439896-30-6 | 6-(Cyclopropylmethoxy)pyrimidine-4-carboxylic acid
CAS No: 1439896-30-6 Catalog No: AG01F91T MDL No:
Product Description
Catalog Number:
AG01F91T
Chemical Name:
6-(Cyclopropylmethoxy)pyrimidine-4-carboxylic acid
CAS Number:
1439896-30-6
Molecular Formula:
C9H10N2O3
Molecular Weight:
194.1873
IUPAC Name:
6-(cyclopropylmethoxy)pyrimidine-4-carboxylic acid
InChI:
InChI=1S/C9H10N2O3/c12-9(13)7-3-8(11-5-10-7)14-4-6-1-2-6/h3,5-6H,1-2,4H2,(H,12,13)
InChI Key:
LQHMZBOVLUHBJD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ncnc(c1)OCC1CC1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.19g/mol
Monoisotopic Mass:
194.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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