AG003CD9

613-87-6 | (S)-(-)-1-Phenyl-1-propanol

AG003CD9

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CAS Number	613-87-6
Catalog Number	AG003CD9(AGN-PC-0T0B2P)
Chemical Name	(S)-(-)-1-Phenyl-1-propanol
IUPAC Name	(1S)-1-phenylpropan-1-ol
InChI	InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3/t9-/m0/s1
InChI Key	DYUQAZSOFZSPHD-VIFPVBQESA-N
MDL Number	MFCD00066207
Molecular Formula	C9H12O
Molecular Weight	136.1910
SMILES	CC[C@@H](C1=CC=CC=C1)O
Synonyms	(S)-(-)-1-Phenyl-1-propanol, 613-87-6, (1S)-1-phenylpropan-1-ol, (s)-1-phenyl-1-propanol, S-(-)-1-Phenylpropanol, (s)-1-phenylpropan-1-ol, AC1MC23W, AC1Q2C8C, (S)-1-Phenyl-propan-1-ol, SCHEMBL698860, CHEMBL345759, CTK3J6605, DTXSID90370542, DYUQAZSOFZSPHD-VIFPVBQESA-N, (S)-(-)-|A-Ethylbenzyl alcohol, (-)-(S)-1-phenyl-1-propanol;, ZINC1622057, (S)-(-)-alpha-Ethylbenzyl alcohol, ANW-33797, MFCD00066207, AKOS017347037, EBD2205243, AJ-28369, AS-10518, CJ-26161, (S)-(-)-1-Phenyl-1-propanol, 99%, DB-072950, RT-003117, FT-0605196, P1931, UNII-0F897O3O4M component DYUQAZSOFZSPHD-VIFPVBQESA-N, (S)-(-)-1-Phenyl-1-propanol, puriss., >=99.0% (sum of enantiomers, GC), alpha-Ethylbenzyl alcohol, CID2734864, Benzenemethanol, .alpha.-ethyl-, (.alpha.S)-, (S)-(-)-1-Phenyl-1-propanol, 98%, ee: 90% - 1G 1g,

Complexity	84.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	136.089g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	136.194g/mol
Monoisotopic Mass	136.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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