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115670-25-2 | Heptadecenoic acid, 16-methyl-, (Z)-
CAS No: 115670-25-2 Catalog No: AG000GQK MDL No:
Product Description
Catalog Number:
AG000GQK
Chemical Name:
Heptadecenoic acid, 16-methyl-, (Z)-
CAS Number:
115670-25-2
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
16-methylheptadec-2-enoic acid
InChI:
InChI=1S/C18H34O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h14,16-17H,3-13,15H2,1-2H3,(H,19,20)
InChI Key:
BNRRFUKDMGDNNT-UHFFFAOYSA-N
SMILES:
CC(CCCCCCCCCCCC/C=C\C(=O)O)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.256g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.468g/mol
Monoisotopic Mass:
282.256g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.8
Literature
| Title | Journal |
|---|---|
| Pseudonocardia kongjuensis sp. nov., isolated from a gold mine cave. | International journal of systematic and evolutionary microbiology 20010701 |
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