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20949-81-9 | 4-Thiazolecarboxaldehyde, 2-phenyl-
CAS No: 20949-81-9 Catalog No: AG002K9I MDL No:MFCD02681934
Product Description
Catalog Number:
AG002K9I
Chemical Name:
4-Thiazolecarboxaldehyde, 2-phenyl-
CAS Number:
20949-81-9
Molecular Formula:
C10H7NOS
Molecular Weight:
189.2337
MDL Number:
MFCD02681934
IUPAC Name:
2-phenyl-1,3-thiazole-4-carbaldehyde
InChI:
InChI=1S/C10H7NOS/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-7H
InChI Key:
OLLKCCGWRITPOV-UHFFFAOYSA-N
SMILES:
O=Cc1csc(n1)c1ccccc1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.232g/mol
Monoisotopic Mass:
189.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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