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41059-02-3 | 9-Bromononanoic acid
CAS No: 41059-02-3 Catalog No: AG003NKH MDL No:MFCD00046564
Product Description
Catalog Number:
AG003NKH
Chemical Name:
9-Bromononanoic acid
CAS Number:
41059-02-3
Molecular Formula:
C9H17BrO2
Molecular Weight:
237.1341
MDL Number:
MFCD00046564
IUPAC Name:
9-bromononanoic acid
InChI:
InChI=1S/C9H17BrO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8H2,(H,11,12)
InChI Key:
XEGRKZRPTBNSMN-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCC(=O)O
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.137g/mol
Monoisotopic Mass:
236.041g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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