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114020-92-7 | 9-Undecenoic acid, 11-(1,3-dioxolan-2-yl)-, methyl ester
CAS No: 114020-92-7 Catalog No: AG000AC8 MDL No:
Product Description
Catalog Number:
AG000AC8
Chemical Name:
9-Undecenoic acid, 11-(1,3-dioxolan-2-yl)-, methyl ester
CAS Number:
114020-92-7
Molecular Formula:
C15H26O4
Molecular Weight:
270.3645
IUPAC Name:
methyl 11-(1,3-dioxolan-2-yl)undec-9-enoate
InChI:
InChI=1S/C15H26O4/c1-17-14(16)10-8-6-4-2-3-5-7-9-11-15-18-12-13-19-15/h7,9,15H,2-6,8,10-13H2,1H3
InChI Key:
XLVSGDALFKLEKO-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCCCCC=CCC1OCCO1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.183g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.369g/mol
Monoisotopic Mass:
270.183g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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