Home Other Building Blocks 2-(ACETYLOXY)-BENZALDEHYDE

2-(ACETYLOXY)-BENZALDEHYDE

CAS No.:
5663-67-2
Catalog Number:
AG00EL4O
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EL4O
Chemical Name:
2-(ACETYLOXY)-BENZALDEHYDE
CAS Number:
5663-67-2
MDL Number:
MFCD00553742
IUPAC Name:
(2-formylphenyl) acetate
InChI:
InChI=1S/C9H8O3/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-6H,1H3
InChI Key:
JWSIJFDOWHFZTK-UHFFFAOYSA-N
NSC Number:
40538
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Ethyl 2-(2-acetoxy-benzyl-idene)-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20100401
Properties