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13030-63-2 | 10-Undecynoic acid, 11-bromo-
CAS No: 13030-63-2 Catalog No: AG000U9J MDL No:
Product Description
Catalog Number:
AG000U9J
Chemical Name:
10-Undecynoic acid, 11-bromo-
CAS Number:
13030-63-2
Molecular Formula:
C11H17BrO2
Molecular Weight:
261.1555
IUPAC Name:
11-bromoundec-10-ynoic acid
InChI:
InChI=1S/C11H17BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-7,9H2,(H,13,14)
InChI Key:
QLHALQHHPFSYOE-UHFFFAOYSA-N
SMILES:
BrC#CCCCCCCCCC(=O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.159g/mol
Monoisotopic Mass:
260.041g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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