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99603-55-1 | 1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, (4S,5R)-
CAS No: 99603-55-1 Catalog No: AG006NME MDL No:
Product Description
Catalog Number:
AG006NME
Chemical Name:
1,3-Dioxolane-4-carboxaldehyde, 2,2,5-trimethyl-, (4S,5R)-
CAS Number:
99603-55-1
Molecular Formula:
C7H12O3
Molecular Weight:
144.1684
IUPAC Name:
(4S,5R)-2,2,5-trimethyl-1,3-dioxolane-4-carbaldehyde
InChI:
InChI=1S/C7H12O3/c1-5-6(4-8)10-7(2,3)9-5/h4-6H,1-3H3/t5-,6-/m1/s1
InChI Key:
BWFCUWGVXQIDQS-PHDIDXHHSA-N
SMILES:
O=C[C@H]1OC(O[C@@H]1C)(C)C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
144.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.17g/mol
Monoisotopic Mass:
144.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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