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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H12O2
Molecular Weight 152.1904
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYLPHENYLETHYLENE GLYCOL, (S)-

SMILES

CC1=CC=C(C=C1)[C@H](O)CO

InChI

InChIKey=LRVUCXFUHLHEDF-SECBINFHSA-N
InChI=1S/C9H12O2/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9-11H,6H2,1H3/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H12O2
Molecular Weight 152.1904
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
UL8SMN6Y5X
Record Status Validated (UNII)
Record Version