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188605-43-8 | 1,1,1-Propanetriol, 2-methyl-
CAS No: 188605-43-8 Catalog No: AG002H1L MDL No:
Product Description
Catalog Number:
AG002H1L
Chemical Name:
1,1,1-Propanetriol, 2-methyl-
CAS Number:
188605-43-8
Molecular Formula:
C4H10O3
Molecular Weight:
106.1204
IUPAC Name:
2-methylpropane-1,1,1-triol
InChI:
InChI=1S/C4H10O3/c1-3(2)4(5,6)7/h3,5-7H,1-2H3
InChI Key:
SZJXEIBPJWMWQR-UHFFFAOYSA-N
SMILES:
CC(C(O)(O)O)C
Properties
Complexity:
52.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.063g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
106.121g/mol
Monoisotopic Mass:
106.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Phragmalin-type limonoid orthoesters from Chukrasia tabularis var. velutina. | Chemical & pharmaceutical bulletin 20110101 |
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