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88083-47-0 | 1,2-Pentanediol, 5-ethoxy-
CAS No: 88083-47-0 Catalog No: AG004HNN MDL No:
Product Description
Catalog Number:
AG004HNN
Chemical Name:
1,2-Pentanediol, 5-ethoxy-
CAS Number:
88083-47-0
Molecular Formula:
C7H16O3
Molecular Weight:
148.2001
IUPAC Name:
5-ethoxypentane-1,2-diol
InChI:
InChI=1S/C7H16O3/c1-2-10-5-3-4-7(9)6-8/h7-9H,2-6H2,1H3
InChI Key:
UYDSUKJFDHLOIQ-UHFFFAOYSA-N
SMILES:
CCOCCCC(CO)O
Properties
Complexity:
65.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.11g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.202g/mol
Monoisotopic Mass:
148.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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