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101849-21-2 | 1,1,3,3-Propanetetrol, 2-heptyl-
CAS No: 101849-21-2 Catalog No: AG0005PN MDL No:
Product Description
Catalog Number:
AG0005PN
Chemical Name:
1,1,3,3-Propanetetrol, 2-heptyl-
CAS Number:
101849-21-2
Molecular Formula:
C10H22O4
Molecular Weight:
206.2793
IUPAC Name:
2-heptylpropane-1,1,3,3-tetrol
InChI:
InChI=1S/C10H22O4/c1-2-3-4-5-6-7-8(9(11)12)10(13)14/h8-14H,2-7H2,1H3
InChI Key:
BQFPILSQQXACLF-UHFFFAOYSA-N
SMILES:
CCCCCCCC(C(O)O)C(O)O
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
206.282g/mol
Monoisotopic Mass:
206.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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