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88229-66-7 | 16-Heptadecenoic acid, 17-(2-anthracenyl)-, methyl ester
CAS No: 88229-66-7 Catalog No: AG004B7E MDL No:
Product Description
Catalog Number:
AG004B7E
Chemical Name:
16-Heptadecenoic acid, 17-(2-anthracenyl)-, methyl ester
CAS Number:
88229-66-7
Molecular Formula:
C32H42O2
Molecular Weight:
458.6747
IUPAC Name:
methyl 17-anthracen-2-ylheptadec-16-enoate
InChI:
InChI=1S/C32H42O2/c1-34-32(33)21-15-13-11-9-7-5-3-2-4-6-8-10-12-14-18-27-22-23-30-25-28-19-16-17-20-29(28)26-31(30)24-27/h14,16-20,22-26H,2-13,15,21H2,1H3
InChI Key:
MKUGDUWXOLDKFN-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCCCCCCCCC=Cc1ccc2c(c1)cc1c(c2)cccc1
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.318g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.686g/mol
Monoisotopic Mass:
458.318g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
11.2
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