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Home Other Building Blocks 3,5-Dimethylheptan-3-ol

3,5-Dimethylheptan-3-ol

CAS No.:
19549-74-7
Catalog Number:
AG003IOI
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
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Product Description
Catalog Number:
AG003IOI
Chemical Name:
3,5-Dimethylheptan-3-ol
CAS Number:
19549-74-7
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
MDL Number:
MFCD00046585
IUPAC Name:
3,5-dimethylheptan-3-ol
InChI:
InChI=1S/C9H20O/c1-5-8(3)7-9(4,10)6-2/h8,10H,5-7H2,1-4H3
InChI Key:
NOSOEGQGQOMHBF-UHFFFAOYSA-N
SMILES:
CCC(CC(CC)(O)C)C
Properties
Complexity:
90.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.151g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.258g/mol
Monoisotopic Mass:
144.151g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Contribution to the Detection and Identification of Oxidation Metabolites of Nonylphenol in Sphingomonas sp. strain TTNP3. Biodegradation 20070401
Degradation of the radioactive and non-labelled branched 4(3',5'-dimethyl 3'-heptyl)-phenol nonylphenol isomer by sphingomonas TTNP3. Biodegradation 20040201
Properties