200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 145958-02-7
145958-02-7 | 1,3-Dioxane-4-carboxaldehyde, 2-phenyl-, (2S,4S)-
CAS No: 145958-02-7 Catalog No: AG001DJW MDL No:
Product Description
Catalog Number:
AG001DJW
Chemical Name:
1,3-Dioxane-4-carboxaldehyde, 2-phenyl-, (2S,4S)-
CAS Number:
145958-02-7
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
(2S,4S)-2-phenyl-1,3-dioxane-4-carbaldehyde
InChI:
InChI=1S/C11H12O3/c12-8-10-6-7-13-11(14-10)9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2/t10-,11-/m0/s1
InChI Key:
GMLHFLHLKZTHOP-QWRGUYRKSA-N
SMILES:
O=C[C@@H]1CCO[C@@H](O1)c1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.