AG003I2Q

20905-98-0 | 3-(3-Thienyl)-1-propanol

AG003I2Q

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CAS Number	20905-98-0
Catalog Number	AG003I2Q(AGN-PC-00KXSV)
Chemical Name	3-(3-Thienyl)-1-propanol
IUPAC Name	3-thiophen-3-ylpropan-1-ol
InChI	InChI=1S/C7H10OS/c8-4-1-2-7-3-5-9-6-7/h3,5-6,8H,1-2,4H2
InChI Key	XVOALIXWMWNSLO-UHFFFAOYSA-N
MDL Number	MFCD09927266
Molecular Formula	C7H10OS
Molecular Weight	142.2187
SMILES	OCCCC1=CSC=C1
Synonyms	3-(3-Thienyl)-1-propanol, 20905-98-0, 3-Thiophenepropanol, 3-(THIOPHEN-3-YL)PROPAN-1-OL, (3-thiophen-3-yl)propan-1-ol, 3-thien-3-ylpropan-1-ol, 3-thien-3-yl-propan-1-ol, 3-thiophen-3-ylpropan-1-ol, SCHEMBL1312020, XVOALIXWMWNSLO-UHFFFAOYSA-N, 5648AJ, MFCD09927266, ZINC39398271, AKOS005217800, MCULE-5310936474, TRA0016317, AS-32585, SY026504, FT-0716687, KS-00000924, Z-3672, MFCD09927266 (97+%), Z1642579507, C7H10OS, 100495-98-5,

Complexity	75.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.045g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	142.216g/mol
Monoisotopic Mass	142.045g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	48.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number