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88459-69-2 | 4(1H)-Pyrimidinone, 2-amino-5-[(3-hydroxypropoxy)methyl]-
CAS No: 88459-69-2 Catalog No: AG004DKW MDL No:
Product Description
Catalog Number:
AG004DKW
Chemical Name:
4(1H)-Pyrimidinone, 2-amino-5-[(3-hydroxypropoxy)methyl]-
CAS Number:
88459-69-2
Molecular Formula:
C8H13N3O3
Molecular Weight:
199.2071
IUPAC Name:
2-amino-5-(3-hydroxypropoxymethyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C8H13N3O3/c9-8-10-4-6(7(13)11-8)5-14-3-1-2-12/h4,12H,1-3,5H2,(H3,9,10,11,13)
InChI Key:
SKMJSWZWAIVDNE-UHFFFAOYSA-N
SMILES:
Nc1nc(=O)c(c[nH]1)COCCCO
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.21g/mol
Monoisotopic Mass:
199.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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