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90330-40-8 | 1,3,5-Trioxane-2-carboxaldehyde, 4,6-bis(dihydroxymethyl)-
CAS No: 90330-40-8 Catalog No: AG006RPZ MDL No:
Product Description
Catalog Number:
AG006RPZ
Chemical Name:
1,3,5-Trioxane-2-carboxaldehyde, 4,6-bis(dihydroxymethyl)-
CAS Number:
90330-40-8
Molecular Formula:
C6H10O8
Molecular Weight:
210.1388
IUPAC Name:
4,6-bis(dihydroxymethyl)-1,3,5-trioxane-2-carbaldehyde
InChI:
InChI=1S/C6H10O8/c7-1-2-12-5(3(8)9)14-6(13-2)4(10)11/h1-6,8-11H
InChI Key:
RSQBUBGMNKWMME-UHFFFAOYSA-N
SMILES:
O=CC1OC(OC(O1)C(O)O)C(O)O
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
210.138g/mol
Monoisotopic Mass:
210.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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