AG0006C1

102016-58-0 | 2-Propenoic acid, 3-[4-(methylthio)phenyl]-

AG0006C1

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CAS Number	102016-58-0
Catalog Number	AG0006C1(AGN-PC-0JTONK)
Chemical Name	2-Propenoic acid, 3-[4-(methylthio)phenyl]-
IUPAC Name	(E)-3-(4-methylsulfanylphenyl)prop-2-enoic acid
InChI	InChI=1S/C10H10O2S/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+
InChI Key	AHBHKZCSIUIANZ-QPJJXVBHSA-N
MDL Number	MFCD00266583
Molecular Formula	C10H10O2S
Molecular Weight	194.2502
SMILES	O=C(O)/C=C/C1=CC=C(SC)C=C1
Synonyms	102016-58-0, 3-[4-(methylsulfanyl)phenyl]acrylic acid, 3-(4-(Methylthio)phenyl)acrylic acid, (E)-3-(4-(methylthio)phenyl)acrylic acid, 140134-65-2, 3-(4-Methylsulfanyl-phenyl)-acrylic acid, AHBHKZCSIUIANZ-QPJJXVBHSA-N, 3-[4-(methylsulfanyl)phenyl]prop-2-enoic acid, AA-768/25019001, (2E)-3-[4-(methylsulfanyl)phenyl]prop-2-enoic acid, p-[Methylthio]cinnamic acid, (2E)-3-(4-methylthiophenyl)prop-2-enoic acid, AK305277, AC1LEGTK, AC1Q4GXR, 4-(Methylthio)cinnamic acid, methylsulfanylphenylacrylicacid, SCHEMBL5048433, 2-Propenoic acid, 3-[4-(methylthio)phenyl]-, (2E)-, JS-039C, HMS1408J08, ZINC153706, BCP21427, ZX-AT003670, MFCD00266583, SBB002370, AKOS001137474, AKOS025310072, FCH3499034, FCH4930232, NE43884, OR13167, RP11481, RP18438, RTR-000484, IDI1_007721, BBV-38776779, BBV-75779842, SC-39309, TR-000484, (2E)-3-[4-(methylthio)phenyl]acrylic acid, (E)-3-(4-Methylsulfanylphenyl)acrylic Acid, ST51043342, Z3559, EN300-05189, (E)-3-(4-methylsulfanylphenyl)prop-2-enoic acid, I01-9496, (2E)-3-[4-(Methylsulfanyl)phenyl]-2-propenoic acid #, C10H10O2S, CID735858, 3-[4-(METHYLSULFANYL)PHENYL]ACRYLICACID, 1003-03-8,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	194.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.248g/mol
Monoisotopic Mass	194.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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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