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116371-83-6 | 2,4(1H,3H)-Pyrimidinedione, 1,3-bis(3-hydroxypropyl)-
CAS No: 116371-83-6 Catalog No: AG000CBN MDL No:
Product Description
Catalog Number:
AG000CBN
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1,3-bis(3-hydroxypropyl)-
CAS Number:
116371-83-6
Molecular Formula:
C10H16N2O4
Molecular Weight:
228.2450
IUPAC Name:
1,3-bis(3-hydroxypropyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C10H16N2O4/c13-7-1-4-11-6-3-9(15)12(10(11)16)5-2-8-14/h3,6,13-14H,1-2,4-5,7-8H2
InChI Key:
PKMIHTXIFXLPKR-UHFFFAOYSA-N
SMILES:
OCCCn1ccc(=O)n(c1=O)CCCO
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.248g/mol
Monoisotopic Mass:
228.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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