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2462-94-4 | 11-Eicosenoic acid
CAS No: 2462-94-4 Catalog No: AG002OT3 MDL No:
Product Description
Catalog Number:
AG002OT3
Chemical Name:
11-Eicosenoic acid
CAS Number:
2462-94-4
Molecular Formula:
C20H38O2
Molecular Weight:
310.5145
IUPAC Name:
icos-11-enoic acid
InChI:
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)
InChI Key:
BITHHVVYSMSWAG-UHFFFAOYSA-N
SMILES:
CCCCCCCCC=CCCCCCCCCCC(=O)O
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.287g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.522g/mol
Monoisotopic Mass:
310.287g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.6
Literature
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