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137609-79-1 | 2,6-Heptadien-1-ol, 6-bromo-, (E)- (9CI)
CAS No: 137609-79-1 Catalog No: AG0013MC MDL No:
Product Description
Catalog Number:
AG0013MC
Chemical Name:
2,6-Heptadien-1-ol, 6-bromo-, (E)- (9CI)
CAS Number:
137609-79-1
Molecular Formula:
C7H11BrO
Molecular Weight:
191.0656
IUPAC Name:
6-bromohepta-2,6-dien-1-ol
InChI:
InChI=1S/C7H11BrO/c1-7(8)5-3-2-4-6-9/h2,4,9H,1,3,5-6H2
InChI Key:
XVDPXFZUSQDFFI-UHFFFAOYSA-N
SMILES:
OC/C=C/CCC(=C)Br
Properties
Complexity:
108
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.999g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.068g/mol
Monoisotopic Mass:
189.999g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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