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1250335-86-4 | 2-(pentan-3-yl)-1,3-thiazole-5-carbaldehyde
CAS No: 1250335-86-4 Catalog No: AG01A0ZS MDL No:MFCD16706917
Product Description
Catalog Number:
AG01A0ZS
Chemical Name:
2-(pentan-3-yl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1250335-86-4
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD16706917
IUPAC Name:
2-pentan-3-yl-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H13NOS/c1-3-7(4-2)9-10-5-8(6-11)12-9/h5-7H,3-4H2,1-2H3
InChI Key:
RCNUZGQGYPXBAW-UHFFFAOYSA-N
SMILES:
CCC(c1ncc(s1)C=O)CC
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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