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765298-70-2 | Octanoic acid, 4-formyl-2-methoxyphenyl ester
CAS No: 765298-70-2 Catalog No: AG005KR6 MDL No:
Product Description
Catalog Number:
AG005KR6
Chemical Name:
Octanoic acid, 4-formyl-2-methoxyphenyl ester
CAS Number:
765298-70-2
Molecular Formula:
C16H22O4
Molecular Weight:
278.3435
IUPAC Name:
(4-formyl-2-methoxyphenyl) octanoate
InChI:
InChI=1S/C16H22O4/c1-3-4-5-6-7-8-16(18)20-14-10-9-13(12-17)11-15(14)19-2/h9-12H,3-8H2,1-2H3
InChI Key:
ZNRIKRZNENPTNL-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)Oc1ccc(cc1OC)C=O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.348g/mol
Monoisotopic Mass:
278.152g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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