AG003CFY

25779-13-9 | (S)-1-Phenylethane-1,2-diol

AG003CFY

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CAS Number	25779-13-9
Catalog Number	AG003CFY(AGN-PC-0O8C3G)
Chemical Name	(S)-1-Phenylethane-1,2-diol
IUPAC Name	(1S)-1-phenylethane-1,2-diol
InChI	InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m1/s1
InChI Key	PWMWNFMRSKOCEY-MRVPVSSYSA-N
MDL Number	MFCD00066256
Molecular Formula	C8H10O2
Molecular Weight	138.1638
SMILES	O[C@@H](C1=CC=CC=C1)CO
UNII	8IB2T1FT6B
Synonyms	25779-13-9, (S)-(+)-1-Phenyl-1,2-ethanediol, (S)-1-Phenylethane-1,2-diol, (S)-(+)-1-Phenylethane-1,2-diol, (1S)-1-phenylethane-1,2-diol, UNII-8IB2T1FT6B, (S)-(+)-Styrene glycol, (S)-1-phenyl-1,2-ethanediol, MFCD00066256, 8IB2T1FT6B, 1,2-Ethanediol, 1-phenyl-, (1S)-, Styrene glycol, (+)-, (R)-(-)-Phenylethylene glycol, (-)-Styrene glycol, (S)-(-)-1-Phenyl-1,2-ethanediol, 1,2-ethanediol, 1-phenyl-, (S)-, PubChem7148, (S)-(+)-Styreneglycol, (S)-phenylethylene glycol, AC1LD6Y2, (s)-phenylethane-1,2-diol, KSC201S3B, SCHEMBL1947849, Jsp005095, (S)-(+)-Phenylethylene glycol, BDBM36101, CTK1A1930, PWMWNFMRSKOCEY-MRVPVSSYSA-N, (1S)-1-Phenyl-1,2-ethanediol, ZINC391852, s-(+)-1-phenyl-1,2-ethanediol, ACN-S003577, ACT04306, KS-000008ZR, ANW-25813, CP-191, CP0021, FD1181, TE5119, AKOS005255106, (S)-( )-1-Phenyl-1,2-ethanediol, AC-5684, CS-W011049, LS30263, RTR-011707, AJ-21140, AN-10746, AS-12223, CJ-03525, ZB012079, AB0011544, AB1009593, DB-011656, ST2402742, TR-011707, A5163, FT-0605276, P1151, ST51037659, (S)-(+)-1-Phenyl-1,2-ethanediol, 99%, K-6725, 779P139, J-016127, UNII-2ZAC511UK8 component PWMWNFMRSKOCEY-MRVPVSSYSA-N, (S)-(+)-1-Phenyl-1,2-ethanediol, purum, >=98.0% (sum of enantiomers, HPLC), null, Phenylethanediol, 1-Phenyl-1,2-ethanediol, C8H10O2, C8-H10-O2, CID643312, (R)-(-)-1-Phenyl-1,2-ethanediol, (R)-(-)-1-Phenylethane-1,2-diol, CB10016, CB10496, (S)-( )-1-Phenyl-1,2-ethanediol, 98% - 1G 1g, 16355-00-3, 93-56-1,

Complexity	87.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	138.068g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	138.166g/mol
Monoisotopic Mass	138.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number