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88357-39-5 | 10-Undecenoic acid, 11-bromo-, methyl ester
CAS No: 88357-39-5 Catalog No: AG004GDE MDL No:
Product Description
Catalog Number:
AG004GDE
Chemical Name:
10-Undecenoic acid, 11-bromo-, methyl ester
CAS Number:
88357-39-5
Molecular Formula:
C12H21BrO2
Molecular Weight:
277.1979
IUPAC Name:
methyl 11-bromoundec-10-enoate
InChI:
InChI=1S/C12H21BrO2/c1-15-12(14)10-8-6-4-2-3-5-7-9-11-13/h9,11H,2-8,10H2,1H3
InChI Key:
BMFLKLDETCMSPJ-UHFFFAOYSA-N
SMILES:
BrC=CCCCCCCCCC(=O)OC
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.202g/mol
Monoisotopic Mass:
276.072g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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