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1478330-02-7 | 5-[2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]THIOPHENE-2-CARBALDEHYDE
CAS No: 1478330-02-7 Catalog No: AG01C8M9 MDL No:MFCD20300255
Product Description
Catalog Number:
AG01C8M9
Chemical Name:
5-[2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]THIOPHENE-2-CARBALDEHYDE
CAS Number:
1478330-02-7
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD20300255
IUPAC Name:
5-[2-(hydroxymethyl)pyrrolidin-1-yl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H13NO2S/c12-6-8-2-1-5-11(8)10-4-3-9(7-13)14-10/h3-4,7-8,12H,1-2,5-6H2
InChI Key:
APHUEURXOZXLDX-UHFFFAOYSA-N
SMILES:
OCC1CCCN1c1ccc(s1)C=O
Properties
Complexity:
212
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:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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