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37939-50-7 | Heptane-1,2,7-triol
CAS No: 37939-50-7 Catalog No: AG003DBL MDL No:MFCD01861288
Product Description
Catalog Number:
AG003DBL
Chemical Name:
Heptane-1,2,7-triol
CAS Number:
37939-50-7
Molecular Formula:
C7H16O3
Molecular Weight:
148.2001
MDL Number:
MFCD01861288
IUPAC Name:
heptane-1,2,7-triol
InChI:
InChI=1S/C7H16O3/c8-5-3-1-2-4-7(10)6-9/h7-10H,1-6H2
InChI Key:
CTRCJSPDRXFNNN-UHFFFAOYSA-N
SMILES:
OCCCCCC(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:
3
Isotope Atom Count:
0
Molecular Weight:
148.202g/mol
Monoisotopic Mass:
148.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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