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1551548-79-8 | 2-[3-(aminomethyl)-1,1-dioxo-1lambda6-thiolan-3-yl]-2-hydroxyacetaldehyde
CAS No: 1551548-79-8 Catalog No: AG01BMVZ MDL No:MFCD24183090
Product Description
Catalog Number:
AG01BMVZ
Chemical Name:
2-[3-(aminomethyl)-1,1-dioxo-1lambda6-thiolan-3-yl]-2-hydroxyacetaldehyde
CAS Number:
1551548-79-8
Molecular Formula:
C7H13NO4S
Molecular Weight:
207.2474
MDL Number:
MFCD24183090
IUPAC Name:
2-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-2-hydroxyacetaldehyde
InChI:
InChI=1S/C7H13NO4S/c8-4-7(6(10)3-9)1-2-13(11,12)5-7/h3,6,10H,1-2,4-5,8H2
InChI Key:
RAAJUZGBIHKFKL-UHFFFAOYSA-N
SMILES:
O=CC(C1(CN)CCS(=O)(=O)C1)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.057g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.244g/mol
Monoisotopic Mass:
207.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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