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1857329-89-5 | 4-(3-hydroxy-4-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS No: 1857329-89-5 Catalog No: AG01C8WX MDL No:MFCD31443361
Product Description
Catalog Number:
AG01C8WX
Chemical Name:
4-(3-hydroxy-4-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
CAS Number:
1857329-89-5
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD31443361
IUPAC Name:
4-(3-hydroxy-4-methylpyrrolidin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S/c1-7-3-11(4-10(7)13)8-2-9(5-12)14-6-8/h2,5-7,10,13H,3-4H2,1H3
InChI Key:
LWSZKZTVCFUNSK-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CC(C(C1)C)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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