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1566471-27-9 | 4-(3-HYDROXYPYRROLIDIN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 1566471-27-9 Catalog No: AG01C8OE MDL No:MFCD26866467
Product Description
Catalog Number:
AG01C8OE
Chemical Name:
4-(3-HYDROXYPYRROLIDIN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1566471-27-9
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
MDL Number:
MFCD26866467
IUPAC Name:
4-(3-hydroxypyrrolidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H11NO2S/c11-5-9-3-7(6-13-9)10-2-1-8(12)4-10/h3,5-6,8,12H,1-2,4H2
InChI Key:
NRDHWJHAULUQJM-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CCC(C1)O
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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