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116164-74-0 | 1-Propanol, ethoxy-
CAS No: 116164-74-0 Catalog No: AG000BS4 MDL No:
Product Description
Catalog Number:
AG000BS4
Chemical Name:
1-Propanol, ethoxy-
CAS Number:
116164-74-0
Molecular Formula:
C5H12O2
Molecular Weight:
104.1476
IUPAC Name:
1-ethoxypropan-1-ol
InChI:
InChI=1S/C5H12O2/c1-3-5(6)7-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
JLBXCKSMESLGTJ-UHFFFAOYSA-N
SMILES:
CCOC(CC)O
Properties
Complexity:
37.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.084g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
104.149g/mol
Monoisotopic Mass:
104.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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