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1698199-53-9 | 5-(3,4-dihydroxypyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1698199-53-9 Catalog No: AG01C8MD MDL No:MFCD31443166
Product Description
Catalog Number:
AG01C8MD
Chemical Name:
5-(3,4-dihydroxypyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1698199-53-9
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD31443166
IUPAC Name:
5-(3,4-dihydroxypyrrolidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H11NO3S/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:
KDPIYFYBUAVAFY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)N1CC(C(C1)O)O
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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