AG001UE2

16378-06-6 | 3-Thiophenepropanoic acid

AG001UE2

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CAS Number	16378-06-6
Catalog Number	AG001UE2(AGN-PC-0JO1EK)
Chemical Name	3-Thiophenepropanoic acid
IUPAC Name	3-thiophen-3-ylpropanoic acid
InChI	InChI=1S/C7H8O2S/c8-7(9)2-1-6-3-4-10-5-6/h3-5H,1-2H2,(H,8,9)
InChI Key	YUSDDNTYMDWOCY-UHFFFAOYSA-N
MDL Number	MFCD06655385
Molecular Formula	C7H8O2S
Molecular Weight	156.2022
NSC Number	109407
SMILES	O=C(O)CCC1=CSC=C1
Synonyms	16378-06-6, 3-(thiophen-3-yl)propanoic acid, 3-thiophenepropanoic acid, 3-thien-3-ylpropanoic acid, 3-(3-thienyl)propanoic acid, 3-Thiophenepropanoicacid, 3-thiophen-3-ylpropanoic acid, 3-Thiophenepropionic acid, 3-thiolpropionic acid, AC1L6LAR, AC1Q1ICM, Thiophene-3-propanoic acid, SCHEMBL599876, AC1Q759H, CTK0I2809, DTXSID90296450, YUSDDNTYMDWOCY-UHFFFAOYSA-N, HMS1748D01, BCP20489, ZINC1701417, MFCD06655385, NSC109407, SBB084121, AKOS000313656, MCULE-5919306548, NSC-109407, RL02100, NCGC00329661-01, AJ-30505, BS-13192, EN001199, SC-48358, AB1008807, EN300-12624, K-5117, AB01323818-02, J-513116, Z85923469, F8880-0588, null, 3-(Thiophen-3-yl)propanoicacid, AR-1F5296, CID268918, 3685-48-1, 37088-47-4,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.025g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	156.199g/mol
Monoisotopic Mass	156.025g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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

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