AG00I1TY

1866-38-2 | trans-3-Chlorocinnamic acid

AG00I1TY

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CAS Number	1866-38-2
Catalog Number	AG00I1TY(AGN-PC-0JLBQR)
Chemical Name	trans-3-Chlorocinnamic acid
IUPAC Name	(E)-3-(3-chlorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
InChI Key	FFKGOJWPSXRALK-SNAWJCMRSA-N
MDL Number	MFCD00004384
Molecular Formula	C9H7ClO2
Molecular Weight	182.6037
SMILES	O=C(O)/C=C/C1=CC=CC(Cl)=C1
Synonyms	3-CHLOROCINNAMIC ACID, 1866-38-2, 3-(3-chlorophenyl)acrylic acid, m-Chlorocinnamic acid, 14473-90-6, (E)-3-(3-chlorophenyl)acrylic acid, (2E)-3-(3-chlorophenyl)acrylic acid, trans-3-Chlorocinnamic acid, 3-Chlorocinnamicacid, 2-Propenoic acid, 3-(3-chlorophenyl)-, (E)-3-CHLOROCINNAMIC ACID, MFCD00004384, 3-(3-chlorophenyl)prop-2-enoic acid, (E)-3-(3-chlorophenyl)prop-2-enoic acid, (2E)-3-(3-chlorophenyl)prop-2-enoic acid, FFKGOJWPSXRALK-SNAWJCMRSA-N, 2-Propenoic acid, 3-(3-chlorophenyl)-, (2E)-, 3-CHLORO-CINNAMIC ACID, (E)-m-Chlorocinnamic acid, m-Chlorzimtsaure, 3-Chlorocinnamic Acid,Predominantly Trans, EINECS 217-478-3, EINECS 238-466-4, NSC 61876, PubChem3629, AC1LEFHB, AC1Q3LWE, Cinnamic acid, m-chloro-, AC1Q3LI8, SCHEMBL79591, trans-3-chloro-cinnamic acid, RARECHEM BK HC T320, AURORA 22720, Jsp003822, CHEMBL1771752, DTXSID1075147, TIMTEC-BB SBB012383, 3-(3-Chlorophenyl)propenoic acid, ZINC151413, ALBB-006018, NSC61876, AKOS BBS-00006453, E-3-(3-chlorophenyl)propenoic acid, AKOS A1231-0358, BBL034639, NSC-61876, NSC623439, SBB012383, STK503672, AKOS000263736, AB00370, AS02691, NE59076, NSC-623439, RP17451, RP24368, RTR-033533, OTAVA-BB 7017655176, trans-3-(3-Chlorophenyl)propenoic acid, (E)-3-(3-chloro-phenyl)-acrylic acid, NCGC00342186-01, AC-14172, AJ-12654, AN-50009, AS-11912, SC-92718, ST066902, 3-Chlorocinnamic acid, predominantly trans, AB1002184, ST2417358, TC-164209, TR-033533, BB 0254086, (2E)-3-(3-Chlorophenyl)-2-propenoic acid #, AB01334559-02, AE-562/40896974, SR-01000597227, I01-3336, I01-9630, SR-01000597227-1, W-107780, InChI=1/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4, N-butyl-2-[3-(2,3-dihydro-1H-indol-1-ylcarbonyl)-6-oxopyridazin-1(6H)-yl]acetamide, null, C9H7ClO2, C9-H7-Cl-O2, KST-1A2263, Cinnamic acid, m-chloro-, (E)-, trans-3-(m-Chlorphenyl)propensaure, trans-3-(3-Chlorphenyl)propensaure, AR-1A2309, AR-1E6587, c0975, CID735250, ACN-029907, (2E)-3-(3-bromophenyl)prop-2-enoic acid, 3-Chlorocinnamic acid, 98% - 100G 100g, 2-Propenoic acid, 3-(3-chlorophenyl)-, (E)-, 18764-34-6, 19064-26-7,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	182.013g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.603g/mol
Monoisotopic Mass	182.013g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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

Lot Number