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Home Aldehydes Benzoyloxy acetaldehyde diethyl acetal

Benzoyloxy acetaldehyde diethyl acetal

CAS No.:
64904-47-8
Catalog Number:
AG00E8NG
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
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Product Description
Catalog Number:
AG00E8NG
Chemical Name:
Benzoyloxy acetaldehyde diethyl acetal
CAS Number:
64904-47-8
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
IUPAC Name:
2,2-diethoxyethyl benzoate
InChI:
InChI=1S/C13H18O4/c1-3-15-12(16-4-2)10-17-13(14)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChI Key:
QFKKHAZEIWDXRZ-UHFFFAOYSA-N
SMILES:
O=CCOC(=O)c1ccccc1
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.283g/mol
Monoisotopic Mass:
238.121g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis of renieramycins: construction of the core ring system of cribrostatin 4 through modified Pictet-Spengler cyclization of 3,6-bisarylpiperazine-2,5-dione with diethoxyethyl benzoate. Chemical & pharmaceutical bulletin 20110101
Properties