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Home > Aldehydes > 1852525-29-1
1852525-29-1 | 4-{3-azabicyclo[3.1.0]hexan-3-yl}-2-methoxy-1,3-thiazole-5-carbaldehyde
CAS No: 1852525-29-1 Catalog No: AG01C8VT MDL No:MFCD31443331
Product Description
Catalog Number:
AG01C8VT
Chemical Name:
4-{3-azabicyclo[3.1.0]hexan-3-yl}-2-methoxy-1,3-thiazole-5-carbaldehyde
CAS Number:
1852525-29-1
Molecular Formula:
C10H12N2O2S
Molecular Weight:
224.2795
MDL Number:
MFCD31443331
IUPAC Name:
4-(3-azabicyclo[3.1.0]hexan-3-yl)-2-methoxy-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C10H12N2O2S/c1-14-10-11-9(8(5-13)15-10)12-3-6-2-7(6)4-12/h5-7H,2-4H2,1H3
InChI Key:
KBQVWYBBVBBAHK-UHFFFAOYSA-N
SMILES:
COc1nc(c(s1)C=O)N1CC2C(C1)C2
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.278g/mol
Monoisotopic Mass:
224.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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