Home Other Building Blocks 4-HYDROXY-2-METHOXYMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID

4-HYDROXY-2-METHOXYMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID

CAS No.:
1250905-84-0
Catalog Number:
AG01BN7I
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
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Product Description
Catalog Number:
AG01BN7I
Chemical Name:
4-HYDROXY-2-METHOXYMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID
CAS Number:
1250905-84-0
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD16162411
IUPAC Name:
2-(methoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C7H8N2O4/c1-13-3-5-8-2-4(7(11)12)6(10)9-5/h2H,3H2,1H3,(H,11,12)(H,8,9,10)
InChI Key:
WQJKFTKBBKRUHO-UHFFFAOYSA-N
SMILES:
COCc1ncc(c(=O)[nH]1)C(=O)O
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties