Home Other Building Blocks 2-(2-cyclohexyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid

2-(2-cyclohexyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid

CAS No.:
897006-87-0
Catalog Number:
AG01AN8T
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AN8T
Chemical Name:
2-(2-cyclohexyl-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetic acid
CAS Number:
897006-87-0
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
MDL Number:
MFCD13499591
IUPAC Name:
2-(2-cyclohexyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
InChI:
InChI=1S/C13H18N2O3/c1-8-10(7-11(16)17)13(18)15-12(14-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,16,17)(H,14,15,18)
InChI Key:
DQOCIEFJROOMPV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1c(C)nc([nH]c1=O)C1CCCCC1
Properties
Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties