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116079-22-2 | 1,1,2,2-Propanetetrol
CAS No: 116079-22-2 Catalog No: AG000BL3 MDL No:
Product Description
Catalog Number:
AG000BL3
Chemical Name:
1,1,2,2-Propanetetrol
CAS Number:
116079-22-2
Molecular Formula:
C3H8O4
Molecular Weight:
108.0932
IUPAC Name:
propane-1,1,2,2-tetrol
InChI:
InChI=1S/C3H8O4/c1-3(6,7)2(4)5/h2,4-7H,1H3
InChI Key:
QBJJYRZAHQDNMZ-UHFFFAOYSA-N
SMILES:
OC(C(O)(O)C)O
Properties
Complexity:
58
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.042g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
108.093g/mol
Monoisotopic Mass:
108.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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