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88018-04-6 | 2-Tridecenoic acid, 13-(2-formylphenoxy)-, methyl ester, (E)-
CAS No: 88018-04-6 Catalog No: AG004GKW MDL No:
Product Description
Catalog Number:
AG004GKW
Chemical Name:
2-Tridecenoic acid, 13-(2-formylphenoxy)-, methyl ester, (E)-
CAS Number:
88018-04-6
Molecular Formula:
C21H30O4
Molecular Weight:
346.4605
IUPAC Name:
methyl 13-(2-formylphenoxy)tridec-2-enoate
InChI:
InChI=1S/C21H30O4/c1-24-21(23)16-10-8-6-4-2-3-5-7-9-13-17-25-20-15-12-11-14-19(20)18-22/h10-12,14-16,18H,2-9,13,17H2,1H3
InChI Key:
AWQGFIFTJATYDF-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/CCCCCCCCCCOc1ccccc1C=O
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.214g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.467g/mol
Monoisotopic Mass:
346.214g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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