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79685-58-8 | 4-Thiazolebutanal
CAS No: 79685-58-8 Catalog No: AG005IN5 MDL No:MFCD18821068
Product Description
Catalog Number:
AG005IN5
Chemical Name:
4-Thiazolebutanal
CAS Number:
79685-58-8
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
MDL Number:
MFCD18821068
IUPAC Name:
4-(1,3-thiazol-4-yl)butanal
InChI:
InChI=1S/C7H9NOS/c9-4-2-1-3-7-5-10-6-8-7/h4-6H,1-3H2
InChI Key:
ZHDUCEKSKRLFFR-UHFFFAOYSA-N
SMILES:
O=CCCCc1cscn1
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.215g/mol
Monoisotopic Mass:
155.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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