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Home > Aldehydes > 1698102-32-7
1698102-32-7 | 5-(3,4-dihydroxypyrrolidin-1-yl)furan-2-carbaldehyde
CAS No: 1698102-32-7 Catalog No: AG01C8IR MDL No:MFCD31443132
Product Description
Catalog Number:
AG01C8IR
Chemical Name:
5-(3,4-dihydroxypyrrolidin-1-yl)furan-2-carbaldehyde
CAS Number:
1698102-32-7
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD31443132
IUPAC Name:
5-(3,4-dihydroxypyrrolidin-1-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C9H11NO4/c11-5-6-1-2-9(14-6)10-3-7(12)8(13)4-10/h1-2,5,7-8,12-13H,3-4H2
InChI Key:
DFNWNIXAUWEBNA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CC(C(C1)O)O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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