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19780-41-7 | 3-Heptanol, 3-ethyl-
CAS No: 19780-41-7 Catalog No: AG002B10 MDL No:
Product Description
Catalog Number:
AG002B10
Chemical Name:
3-Heptanol, 3-ethyl-
CAS Number:
19780-41-7
Molecular Formula:
C9H20O
Molecular Weight:
144.2545
IUPAC Name:
3-ethylheptan-3-ol
InChI:
InChI=1S/C9H20O/c1-4-7-8-9(10,5-2)6-3/h10H,4-8H2,1-3H3
InChI Key:
XKRZDNKKANUBPV-UHFFFAOYSA-N
SMILES:
CCCCC(CC)(CC)O
EC Number:
243-301-4
NSC Number:
96959
Properties
Complexity:
74.8
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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