U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O3
Molecular Weight 180.2005
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-HYDROXY-2-PHENYL-1,3-DIOXANE, CIS-

SMILES

O[C@H]1CO[C@H](OC1)C2=CC=CC=C2

InChI

InChIKey=BWKDAAFSXYPQOS-AOOOYVTPSA-N
InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2/t9-,10+

HIDE SMILES / InChI

Molecular Formula C10H12O3
Molecular Weight 180.2005
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
V226TA551J
Record Status Validated (UNII)
Record Version