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87763-91-5 | 12-Tridecenoic acid, 12-bromo-10-hydroxy-, ethyl ester
CAS No: 87763-91-5 Catalog No: AG004IDG MDL No:
Product Description
Catalog Number:
AG004IDG
Chemical Name:
12-Tridecenoic acid, 12-bromo-10-hydroxy-, ethyl ester
CAS Number:
87763-91-5
Molecular Formula:
C15H27BrO3
Molecular Weight:
335.2771
IUPAC Name:
ethyl 12-bromo-10-hydroxytridec-12-enoate
InChI:
InChI=1S/C15H27BrO3/c1-3-19-15(18)11-9-7-5-4-6-8-10-14(17)12-13(2)16/h14,17H,2-12H2,1H3
InChI Key:
YNEMJMBOFFIRMI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCCCC(CC(=C)Br)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.282g/mol
Monoisotopic Mass:
334.114g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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