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821806-14-8 | 1,2-Propanediol, 3-(2-pyrimidinyloxy)-, (2R)-
CAS No: 821806-14-8 Catalog No: AG0056P2 MDL No:
Product Description
Catalog Number:
AG0056P2
Chemical Name:
1,2-Propanediol, 3-(2-pyrimidinyloxy)-, (2R)-
CAS Number:
821806-14-8
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
IUPAC Name:
(2R)-3-pyrimidin-2-yloxypropane-1,2-diol
InChI:
InChI=1S/C7H10N2O3/c10-4-6(11)5-12-7-8-2-1-3-9-7/h1-3,6,10-11H,4-5H2/t6-/m1/s1
InChI Key:
YRDPGBRDUTZTFI-ZCFIWIBFSA-N
SMILES:
OC[C@H](COc1ncccn1)O
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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