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881994-32-7 | Decanoic acid, 4-formyl-2-methoxyphenyl ester
CAS No: 881994-32-7 Catalog No: AG004DYE MDL No:
Product Description
Catalog Number:
AG004DYE
Chemical Name:
Decanoic acid, 4-formyl-2-methoxyphenyl ester
CAS Number:
881994-32-7
Molecular Formula:
C18H26O4
Molecular Weight:
306.3966
IUPAC Name:
(4-formyl-2-methoxyphenyl) decanoate
InChI:
InChI=1S/C18H26O4/c1-3-4-5-6-7-8-9-10-18(20)22-16-12-11-15(14-19)13-17(16)21-2/h11-14H,3-10H2,1-2H3
InChI Key:
FSUFFEUJUFKPOW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)Oc1ccc(cc1OC)C=O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.183g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.402g/mol
Monoisotopic Mass:
306.183g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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