AG002A0L

20532-34-7 | Benzo[b]thiophene-5-methanol

AG002A0L

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CAS Number	20532-34-7
Catalog Number	AG002A0L(AGN-PC-0KL7J9)
Chemical Name	Benzo[b]thiophene-5-methanol
IUPAC Name	1-benzothiophen-5-ylmethanol
InChI	InChI=1S/C9H8OS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,10H,6H2
InChI Key	JSYSQUAJOCDMJW-UHFFFAOYSA-N
MDL Number	MFCD04972640
Molecular Formula	C9H8OS
Molecular Weight	164.2242
SMILES	OCC1=CC=C2C(C=CS2)=C1
Synonyms	1-benzothiophen-5-ylmethanol, 20532-34-7, Benzo[b]thiophen-5-ylmethanol, Benzo[b]thiophene-5-methanol, AC1MDTE0, 1-benzothien-5-ylmethanol, 5-hydroxymethylbenzothiophene, 1-Benzothiophene-5-ylmethanol, SCHEMBL202744, 1-Benzothiophen-5-yl methanol, 5-hydroxymethylbenzo[b]thiophene, CTK0J8760, DTXSID10383674, JSYSQUAJOCDMJW-UHFFFAOYSA-N, benzo[b]thiophen-5-ylmethan-1-ol, ZINC159025, MFCD04972640, SBB087820, AKOS003237336, RP02381, 1-benzothiophen-5-ylmethanol, AldrichCPR, AS-50470, ZB007179, CS-0052635, FT-0694369, Y8181, KS-00000812, W-206530, I14-86031, C9H8OS, ZINC00159025, CID2795446,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.03g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.222g/mol
Monoisotopic Mass	164.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	48.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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