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Home > Aldehydes > 104390-79-6
104390-79-6 | 1,3-Dioxolane-4-acetaldehyde, 4-(hydroxymethyl)-2,2-dimethyl-, (S)-
CAS No: 104390-79-6 Catalog No: AG008614 MDL No:
Product Description
Catalog Number:
AG008614
Chemical Name:
1,3-Dioxolane-4-acetaldehyde, 4-(hydroxymethyl)-2,2-dimethyl-, (S)-
CAS Number:
104390-79-6
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
IUPAC Name:
2-[4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
InChI:
InChI=1S/C8H14O4/c1-7(2)11-6-8(5-10,12-7)3-4-9/h4,10H,3,5-6H2,1-2H3
InChI Key:
TWARNEIOEMUEEO-UHFFFAOYSA-N
SMILES:
O=CC[C@]1(CO)COC(O1)(C)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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