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88456-71-7 | 4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(4-hydroxyphenyl)-
CAS No: 88456-71-7 Catalog No: AG004DL9 MDL No:
Product Description
Catalog Number:
AG004DL9
Chemical Name:
4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-(4-hydroxyphenyl)-
CAS Number:
88456-71-7
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
IUPAC Name:
5-ethyl-5-(4-hydroxyphenyl)-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C12H14N2O3/c1-2-12(8-3-5-9(15)6-4-8)10(16)13-7-14-11(12)17/h3-6,15H,2,7H2,1H3,(H,13,16)(H,14,17)
InChI Key:
VMOIBLYUVUAHSC-UHFFFAOYSA-N
SMILES:
CCC1(C(=O)NCNC1=O)c1ccc(cc1)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:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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