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71974-01-1 | 2-heptanoyloxybenzoic acid
CAS No: 71974-01-1 Catalog No: AG005EDH MDL No:
Product Description
Catalog Number:
AG005EDH
Chemical Name:
2-heptanoyloxybenzoic acid
CAS Number:
71974-01-1
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
IUPAC Name:
2-heptanoyloxybenzoic acid
InChI:
InChI=1S/C14H18O4/c1-2-3-4-5-10-13(15)18-12-9-7-6-8-11(12)14(16)17/h6-9H,2-5,10H2,1H3,(H,16,17)
InChI Key:
IRAFVNYAJKOAJA-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)Oc1ccccc1C(=O)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Changes in C12:0, C18:1, C18:2 and C20:2 fatty acid content in wheat treated with resistance inducers and infected by powdery mildew. | Plant biology (Stuttgart, Germany) 20090101 |
| Iodus 40, salicylic acid, heptanoyl salicylic acid and trehalose exhibit different efficacies and defence targets during a wheat/powdery mildew interaction. | Phytochemistry 20070401 |
| Changes in lipid composition of Blumeria graminis f.sp. tritici conidia produced on wheat leaves treated with heptanoyl salicylic acid. | Phytochemistry 20060601 |
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