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88335-40-4 | 9-Undecenoic acid, 11-methoxy-11-(3-pentyloxiranyl)-, methyl ester
CAS No: 88335-40-4 Catalog No: AG004719 MDL No:
Product Description
Catalog Number:
AG004719
Chemical Name:
9-Undecenoic acid, 11-methoxy-11-(3-pentyloxiranyl)-, methyl ester
CAS Number:
88335-40-4
Molecular Formula:
C20H36O4
Molecular Weight:
340.4974
IUPAC Name:
methyl 11-methoxy-11-(3-pentyloxiran-2-yl)undec-9-enoate
InChI:
InChI=1S/C20H36O4/c1-4-5-11-15-18-20(24-18)17(22-2)14-12-9-7-6-8-10-13-16-19(21)23-3/h12,14,17-18,20H,4-11,13,15-16H2,1-3H3
InChI Key:
BOCZHGZTZHPCHP-UHFFFAOYSA-N
SMILES:
CCCCCC1OC1C(C=CCCCCCCCC(=O)OC)OC
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.261g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.504g/mol
Monoisotopic Mass:
340.261g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
48.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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