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146671-43-4

146671-43-4 | 1,9-Nonanediol, 2-methyl-, (S)- (9CI)

CAS No: 146671-43-4 Catalog No: AG001E7K MDL No:

Product Description

Catalog Number:
AG001E7K
Chemical Name:
1,9-Nonanediol, 2-methyl-, (S)- (9CI)
CAS Number:
146671-43-4
Molecular Formula:
C10H22O2
Molecular Weight:
174.2805
IUPAC Name:
2-methylnonane-1,9-diol
InChI:
InChI=1S/C10H22O2/c1-10(9-12)7-5-3-2-4-6-8-11/h10-12H,2-9H2,1H3
InChI Key:
GQSJKULLLUNPMA-UHFFFAOYSA-N
SMILES:
OCCCCCCC[C@@H](CO)C

Properties

Complexity:
83.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.162g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
174.284g/mol
Monoisotopic Mass:
174.162g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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