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144581-77-1 | 3-Penten-1-ol, 5-bromo-, acetate, (Z)- (9CI)
CAS No: 144581-77-1 Catalog No: AG001JS1 MDL No:
Product Description
Catalog Number:
AG001JS1
Chemical Name:
3-Penten-1-ol, 5-bromo-, acetate, (Z)- (9CI)
CAS Number:
144581-77-1
Molecular Formula:
C7H11BrO2
Molecular Weight:
207.0650
IUPAC Name:
acetic acid;5-bromopent-3-en-1-ol
InChI:
InChI=1S/C5H9BrO.C2H4O2/c6-4-2-1-3-5-7;1-2(3)4/h1-2,7H,3-5H2;1H3,(H,3,4)
InChI Key:
XSALBODENOWLLE-UHFFFAOYSA-N
SMILES:
CC(=O)OCC/C=C\CBr
Properties
Complexity:
83.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.005g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
225.082g/mol
Monoisotopic Mass:
224.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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