AG00IAUZ

614-60-8 | 2-Hydroxycinnamic acid, predominantly trans

AG00IAUZ

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CAS Number	614-60-8
Catalog Number	AG00IAUZ(AGN-PC-0WAFZ7)
Chemical Name	2-Hydroxycinnamic acid, predominantly trans
FEMA Number	4700
IUPAC Name	(E)-3-(2-hydroxyphenyl)prop-2-enoic acid
InChI	InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
InChI Key	PMOWTIHVNWZYFI-AATRIKPKSA-N
MDL Number	MFCD00004379
Molecular Formula	C9H8O3
Molecular Weight	164.1580
NSC Number	32952
SMILES	O=C(O)/C=C/C1=CC=CC=C1O
UNII	23AU5FZB9C
Synonyms	2-hydroxycinnamic acid, 2-hydroxycinnamic acid, (E)-isomer, 2-hydroxycinnamic acid, (Z)-isomer, ortho-hydroxycinnamic acid, 2-Hydroxycinnamic acid, o-Coumaric acid, 614-60-8, trans-2-Hydroxycinnamic acid, 2-Coumaric acid, trans-o-Hydroxycinnamic acid, trans-o-Coumaric acid, 2-Coumarate, (E)-o-Hydroxycinnamic acid, 2-Hydroxycinnamate, (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid, 583-17-5, o-Hydroxy-trans-cinnamic acid, trans-2-Hydroxycinnamate, 3-(2-hydroxyphenyl)acrylic acid, (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID, (E)-3-(2-Hydroxyphenyl)-2-propenoic acid, 2-Hydroxycinamic acid, 2-Hydroxycinnamic acid, (E)-, CINNAMIC ACID, o-HYDROXY-, (E)-, UNII-23AU5FZB9C, (E)-2-hydroxycinnamic acid, (E)-3-(2-hydroxyphenyl)acrylic acid, CCRIS 5834, trans-2-coumaric acid, (E)-3-(2-hydroxyphenyl)prop-2-enoic acid, (2E)-3-(2-Hydroxyphenyl)-2-propenoic acid, EINECS 210-386-4, ortho-Hydroxycinnamic acid, MFCD00004379, NSC 32952, 2-Propenoic acid, 3-(2-hydroxyphenyl)-, (E)-, 2-Propenoic acid, 3-(2-hydroxyphenyl)-, (2E)-, BRN 1100900, 23AU5FZB9C, 2-Propenoic acid, 3-(2-hydroxyphenyl)-, CHEMBL52564, CHEBI:18125, PMOWTIHVNWZYFI-AATRIKPKSA-N, 3-(2-hydroxyphenyl)prop-2-enoic acid, o-coumarate, 2-Hydroxy Cinnamic Acid, (E)-3-(2-HYDROXY-PHENYL)-ACRYLIC ACID, cis-2-coumaric acid, 2HC, cis-2-coumarate, 3-(2-hydroxyphenyl)prop-2-enoate, cis-2-hydroxycinnamic acid, o-Hydroxycinnamate, trans-o-Coumarate, (2Z)-3-(2-hydroxyphenyl)acrylic acid, ortho-coumaric acid, ortho-Hydroxycinnamate, PubChem8214, (E)-Coumarinic Acid, (2Z)-3-(2-hydroxyphenyl)acrylate, AC1LCUFT, trans-o-Hydroxycinnamate, trans-ortho-coumaric acid, (E)-ortho-coumaric acid, o-Hydroxy-trans-cinnamate, (E)-o-Hydroxycinnamicacid, bmse000347, Cinnamic acid, o-hydroxy-, WLN: QV1U1R BQ, AC1Q71FE, SCHEMBL64885, QSPL 150, CHEBI:18176, 2-Hydroxycinnamic acid, (2E)-, ZINC895911, ALBB-025832, NSC32952, ZX-AT016055, BBL013048, BDBM50146462, NSC-32952, SBB065726, STK301745, AKOS003790794, 3-(2-Hydroxyphenyl)-2-propenoic acid, CS-W013247, DB01650, MCULE-5451854573, OR40640, RTR-037283, (E)-3-(2-hydroxyphenyl)-acrylic acid, CINNAMIC ACID,2-HYDROXY (TRANS), trans-3-(2-hydroxyphenyl)propenoic acid, AJ-24216, AN-46543, AS-12449, LS-54110, ST097457, 2-Hydroxycinnamic acid, predominantly trans, TR-037283, R1101, C01772, 2-Hydroxycinnamic acid, predominantly trans, 97%, 614H608, C-04438, I04-0024, TRANS-2-HYDROXYCINNAMIC ACID; O-COUMARIC ACID, 2-Propenoic acid, 3-(2-hydroxyphenyl)-, (E)- (9CI), F2191-0203, 90E8F55A-AB69-4720-95AF-747C2DCA5471, UNII-2S0H1PX3LM component PMOWTIHVNWZYFI-AATRIKPKSA-N, O-Hydroxycinnamic acid, trans-o-Cumaric Acid, cis-2-Hydroxycinnamate, Cinnamic acid, (E)-, 2-HYDROXYCINNAMICACID, UNII-2S0H1PX3LM, 2-Propenoic acid, (E)-, C9H8O3, C9-H8-O3, EINECS 209-500-5, c0394, CID637540, ACN-042041, 4-10-00-00999 (Beilstein Handbook Reference), 14755-02-3,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	164.047g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	164.16g/mol
Monoisotopic Mass	164.047g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number