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88018-03-5 | 2-Octenoic acid, 8-(2-formylphenoxy)-, methyl ester, (E)-
CAS No: 88018-03-5 Catalog No: AG004GKX MDL No:
Product Description
Catalog Number:
AG004GKX
Chemical Name:
2-Octenoic acid, 8-(2-formylphenoxy)-, methyl ester, (E)-
CAS Number:
88018-03-5
Molecular Formula:
C16H20O4
Molecular Weight:
276.3276
IUPAC Name:
methyl 8-(2-formylphenoxy)oct-2-enoate
InChI:
InChI=1S/C16H20O4/c1-19-16(18)11-5-3-2-4-8-12-20-15-10-7-6-9-14(15)13-17/h5-7,9-11,13H,2-4,8,12H2,1H3
InChI Key:
FPSRYDJGIRGWDH-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/CCCCCOc1ccccc1C=O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.136g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.332g/mol
Monoisotopic Mass:
276.136g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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