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Home > Aldehydes > 1699443-33-8
1699443-33-8 | 4-(3,4-dihydroxypyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1699443-33-8 Catalog No: AG01C8P4 MDL No:MFCD31443194
Product Description
Catalog Number:
AG01C8P4
Chemical Name:
4-(3,4-dihydroxypyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1699443-33-8
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD31443194
IUPAC Name:
4-(3,4-dihydroxypyrrolidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H11NO3S/c11-4-7-1-6(5-14-7)10-2-8(12)9(13)3-10/h1,4-5,8-9,12-13H,2-3H2
InChI Key:
NYNFIRUZKLXUKI-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)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:
0.1
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