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21078-72-8 | 3-Nonanol, 3-methyl-
CAS No: 21078-72-8 Catalog No: AG002KYQ MDL No:
Product Description
Catalog Number:
AG002KYQ
Chemical Name:
3-Nonanol, 3-methyl-
CAS Number:
21078-72-8
Molecular Formula:
C10H22O
Molecular Weight:
158.2811
IUPAC Name:
3-methylnonan-3-ol
InChI:
InChI=1S/C10H22O/c1-4-6-7-8-9-10(3,11)5-2/h11H,4-9H2,1-3H3
InChI Key:
VZBFPIMCUSPDLS-UHFFFAOYSA-N
SMILES:
CCCCCCC(CC)(O)C
EC Number:
244-195-2
Properties
Complexity:
90.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.167g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.285g/mol
Monoisotopic Mass:
158.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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