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Home > Aldehydes > 1697529-01-3
1697529-01-3 | 2-(3,4-dihydroxypyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CAS No: 1697529-01-3 Catalog No: AG01C8RS MDL No:MFCD29486995
Product Description
Catalog Number:
AG01C8RS
Chemical Name:
2-(3,4-dihydroxypyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CAS Number:
1697529-01-3
Molecular Formula:
C9H11N3O3
Molecular Weight:
209.2019
MDL Number:
MFCD29486995
IUPAC Name:
2-(3,4-dihydroxypyrrolidin-1-yl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H11N3O3/c13-5-6-1-10-9(11-2-6)12-3-7(14)8(15)4-12/h1-2,5,7-8,14-15H,3-4H2
InChI Key:
WURNDFXOAXLRCK-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)N1CC(C(C1)O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.205g/mol
Monoisotopic Mass:
209.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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