AG00DECF

458-46-8 | 2-Propenoic acid, 3-(3-fluorophenyl)-

AG00DECF

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CAS Number	458-46-8
Catalog Number	AG00DECF(AGN-PC-0JLXJB)
Chemical Name	2-Propenoic acid, 3-(3-fluorophenyl)-
IUPAC Name	(E)-3-(3-fluorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
InChI Key	RTSIUKMGSDOSTI-SNAWJCMRSA-N
MDL Number	MFCD00004383
Molecular Formula	C9H7FO2
Molecular Weight	166.1491
NSC Number	73988
SMILES	FC=1C=C(C=CC1)C=CC(=O)O
Synonyms	3-fluorocinnamic acid, meta-fluorocinnamate, 3-Fluorocinnamic acid, 20595-30-6, 458-46-8, trans-3-Fluorocinnamic acid, 3-(3-Fluorophenyl)acrylic acid, trans 3-fluorocinnamic acid, (2E)-3-(3-Fluorophenyl)Prop-2-Enoic Acid, (E)-3-(3-Fluorophenyl)acrylic acid, m-Fluorocinnamic acid, 3-(3-fluoro-phenyl)-acrylic acid, trans-m-FLUOROCINNAMIC, 3-fluoro cinnamic acid, RTSIUKMGSDOSTI-SNAWJCMRSA-N, MFCD00004383, (2e)-3-(3-fluorophenyl)acrylic acid, trans-3-(3-Fluorophenyl)propenoic acid, 3-(3-fluorophenyl)prop-2-enoic acid, 2-Propenoic acid, 3-(3-fluorophenyl)-, (2E)-, RARECHEM BK HC T308, (E)-3-(3-fluorophenyl)prop-2-enoic acid, TIMTEC-BB SBB006621, ATTERCOP-CHM AT113947, OTAVA-BB 1512411, TRANS-M-FLUOROCINNAMIC ACID, AKOS BBS-00006451, 3-[3-Fluorophenyl]-2-propenoic acid, 3-(3-FLUOROPHENYL)-2-PROPENOIC ACID, EINECS 207-281-0, EINECS 243-902-1, PubChem3489, PubChem4346, m-fluoro-cinnamic acid, AC1LT4S2, SCHEMBL79650, AC1Q71G2, Jsp004221, RTSIUKMGSDOSTI-SNAWJCMRSA-, trans-3-Fluorocinnamic acid, 98%, ACT13052, JRD-0525, NSC73988, ZINC1699453, GEO-03551, NSC-73988, SBB006621, STL353610, AKOS000263734, AC-3070, AS01283, AS01921, CS-W001956, PS-6565, RTR-009627, VZ26887, VZ36959, AJ-30400, AN-45052, BC202172, SC-02327, AB0011963, RT-001533, TL8003182, TR-009627, (2E)-3-(3-Fluorophenyl)-2-propenoic acid, AM20060150, F0264, ST24028289, ST50817416, Z4771, C-4796, M-8846, Y-9869, 2-Propenoic acid,3-(3-fluorophenyl)-, (2E)-, I01-4697, I04-0165, J-013450, J-510607, InChI=1/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+, (E)-m-Fluorocinnamic acid, C9H7FO2, C9-H7-F-O2, 3-(3-FLUOROPHENYL)propenoic acid, CID1551219, 3-Fluorocinnamic acid, 98% - 5G 5g, trans-3-Fluorocinnamic acid, 98% - 25G 25g, 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetic Acid,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	166.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.151g/mol
Monoisotopic Mass	166.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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