Home Other Building Blocks 2-Heptanol, 3-ethyl-

2-Heptanol, 3-ethyl-

CAS No.:
19780-39-3
Catalog Number:
AG002B12
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
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Product Description
Catalog Number:
AG002B12
Chemical Name:
2-Heptanol, 3-ethyl-
CAS Number:
19780-39-3
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
MDL Number:
MFCD00046644
IUPAC Name:
3-ethylheptan-2-ol
InChI:
InChI=1S/C9H20O/c1-4-6-7-9(5-2)8(3)10/h8-10H,4-7H2,1-3H3
InChI Key:
MMQDVLWWGWJSFS-UHFFFAOYSA-N
SMILES:
CCCCC(C(O)C)CC
Properties
Complexity:
71.1  
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:
5  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties