AG007ROQ

112897-97-9 | (E)-3-(3,4-difluorophenyl)acrylic acid

AG007ROQ

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CAS Number	112897-97-9
Catalog Number	AG007ROQ(AGN-PC-0NY1EE)
Chemical Name	(E)-3-(3,4-difluorophenyl)acrylic acid
IUPAC Name	(E)-3-(3,4-difluorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H6F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	HXBOHZQZTWAEHJ-DUXPYHPUSA-N
MDL Number	MFCD00010320
Molecular Formula	C9H6F2O2
Molecular Weight	184.1395
SMILES	OC(=O)C=CC1=CC(F)=C(F)C=C1
Synonyms	112897-97-9, trans-3,4-Difluorocinnamic acid, 3,4-Difluorocinnamic acid, (E)-3-(3,4-difluorophenyl)acrylic acid, (2E)-3-(3,4-difluorophenyl)prop-2-enoic acid, (E)-3-(3,4-difluorophenyl)prop-2-enoic acid, HXBOHZQZTWAEHJ-DUXPYHPUSA-N, MFCD00010320, 2-Propenoic acid, 3-(3,4-difluorophenyl)-, (2E)-, 152152-17-5, 3-(3,4-difluorophenyl)prop-2-enoic acid, PubChem3107, 2-Propenoic acid, 3-(3,4-difluorophenyl)-, AC1MBYKG, AC1Q71FY, SCHEMBL407484, Jsp001011, (E)-3,4-difluorocinnamic acid, CHEMBL3397061, JRD-0373, ZINC2539345, 3-(3,4-Difluorophenyl)acrylic acid, CD-067, SBB006677, 3-(3,4-Difluoro-phenyl)acrylic acid, AKOS000142594, AKOS025310637, AS04464, PS-6475, RTR-002496, trans-3,4-Difluorocinnamic acid, 95%, AJ-38855, AN-33400, I694, SC-00412, trans-3-(3,4-Difluorophenyl)acrylic Acid, AB0013836, DB-041131, ST2414398, TL8000376, TR-002496, (E)-3-(3,4-difluoro-phenyl)-acrylic acid, D4161, ST50826856, (E)-3-(3,4-difiuorophenyl)-2-propenoic acid, (E)-3-(3,4-difluorophenyl)-2-propenoic acid, C-4843, I01-3032, W-200847, C9H6F2O2, ACN-042068, CID2733300, (E)-3-(3,4-Difluorophenyl)acrylicacid, trans-3,4-Difluorocinnamic acid, 97% - 1G 1g,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	184.034g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.142g/mol
Monoisotopic Mass	184.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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