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Home > Aldehydes > 874163-53-8
874163-53-8 | Benzaldehyde, 2-[[4-(acetyloxy)-2-butynyl]oxy]-
CAS No: 874163-53-8 Catalog No: AG008DKY MDL No:
Product Description
Catalog Number:
AG008DKY
Chemical Name:
Benzaldehyde, 2-[[4-(acetyloxy)-2-butynyl]oxy]-
CAS Number:
874163-53-8
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
IUPAC Name:
4-(2-formylphenoxy)but-2-ynyl acetate
InChI:
InChI=1S/C13H12O4/c1-11(15)16-8-4-5-9-17-13-7-3-2-6-12(13)10-14/h2-3,6-7,10H,8-9H2,1H3
InChI Key:
SUTAKHHEXNMGOU-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OCC#CCOC(=O)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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