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28610-42-6 | Benzaldehyde, 4-(acetyloxy)-3-(phenylmethoxy)-
CAS No: 28610-42-6 Catalog No: AG002VUW MDL No:
Product Description
Catalog Number:
AG002VUW
Chemical Name:
Benzaldehyde, 4-(acetyloxy)-3-(phenylmethoxy)-
CAS Number:
28610-42-6
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
IUPAC Name:
(4-formyl-2-phenylmethoxyphenyl) acetate
InChI:
InChI=1S/C16H14O4/c1-12(18)20-15-8-7-14(10-17)9-16(15)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
MOWVLHDNOVZGGH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)OCc1ccccc1)OC(=O)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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