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702711-45-3 | 5-[(2S)-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]FURAN-2-CARBALDEHYDE
CAS No: 702711-45-3 Catalog No: AG01C8YR MDL No:MFCD24677865
Product Description
Catalog Number:
AG01C8YR
Chemical Name:
5-[(2S)-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]FURAN-2-CARBALDEHYDE
CAS Number:
702711-45-3
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD24677865
IUPAC Name:
5-[2-(hydroxymethyl)pyrrolidin-1-yl]furan-2-carbaldehyde
InChI:
InChI=1S/C10H13NO3/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:
DIYHEMGBPBEONP-UHFFFAOYSA-N
SMILES:
OC[C@@H]1CCCN1c1ccc(o1)C=O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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