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17952-11-3 | Pentane, 1-ethoxy-
CAS No: 17952-11-3 Catalog No: AG00271H MDL No:
Product Description
Catalog Number:
AG00271H
Chemical Name:
Pentane, 1-ethoxy-
CAS Number:
17952-11-3
Molecular Formula:
C7H16O
Molecular Weight:
116.2013
IUPAC Name:
1-ethoxypentane
InChI:
InChI=1S/C7H16O/c1-3-5-6-7-8-4-2/h3-7H2,1-2H3
InChI Key:
VDMXPMYSWFDBJB-UHFFFAOYSA-N
SMILES:
CCCCCOCC
EC Number:
241-877-1
NSC Number:
152102
Properties
Complexity:
35.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.12g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.204g/mol
Monoisotopic Mass:
116.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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