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115185-86-9 | 2-Octenoic acid, 4-bromo-
CAS No: 115185-86-9 Catalog No: AG000GE9 MDL No:
Product Description
Catalog Number:
AG000GE9
Chemical Name:
2-Octenoic acid, 4-bromo-
CAS Number:
115185-86-9
Molecular Formula:
C8H13BrO2
Molecular Weight:
221.0916
IUPAC Name:
4-bromooct-2-enoic acid
InChI:
InChI=1S/C8H13BrO2/c1-2-3-4-7(9)5-6-8(10)11/h5-7H,2-4H2,1H3,(H,10,11)
InChI Key:
FZILSBUDCYKRKR-UHFFFAOYSA-N
SMILES:
CCCCC(C=CC(=O)O)Br
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.094g/mol
Monoisotopic Mass:
220.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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