AG003BAQ

2373-80-0 | 3-(Benzo[d][1,3]dioxol-5-yl)acrylic acid

AG003BAQ

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CAS Number	2373-80-0
Catalog Number	AG003BAQ(AGN-PC-0JKD5V)
Chemical Name	3-(Benzo[d][1,3]dioxol-5-yl)acrylic acid
EC Number	219-151-0
IUPAC Name	(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid
InChI	InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2+
InChI Key	QFQYZMGOKIROEC-DUXPYHPUSA-N
MDL Number	MFCD00005837
Molecular Formula	C10H8O4
Molecular Weight	192.1681
SMILES	O=C(O)/C=C/C1=CC=C(OCO2)C2=C1
UNII	X8H0WPJ08Y
Synonyms	2373-80-0, 3,4-(METHYLENEDIOXY)CINNAMIC ACID, 3,4-Methylenedioxycinnamic acid, UNII-X8H0WPJ08Y, (2e)-3-(1,3-benzodioxol-5-yl)acrylic acid, 3-(1,3-benzodioxol-5-yl)acrylic acid, 3-(Benzo[d][1,3]dioxol-5-yl)acrylic acid, Methylenedioxycinnamic acid, X8H0WPJ08Y, (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid, CHEBI:81482, QFQYZMGOKIROEC-DUXPYHPUSA-N, MFCD00005837, 38489-76-8, (e)-3-benzo[1,3]dioxol-5-yl-acrylic acid, 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, 3-(1,3-benzodioxol-5-yl)-2-propenoic acid, (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid, CS-002/03843060, W-107380, 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, (2E)-, Acetic acid, piperonylidene-, (2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoic acid, 3,4-Methylenedioxy Cinnamic Acid, 3-benzo[1,3]dioxol-5-yl-acrylic acid, 3,4-Methylenedioxybenzene-3-acrylic acid, AK117440, 3-(3,4-Methylenedioxyphenyl)propenoic acid, MDCA, piperonyl acrylic acid, PubChem8286, Cinnamic acid, 3,4-(methylenedioxy)-, 3-Piperonylacrylic Acid, AC1LD6NW, AC1Q5T9A, SCHEMBL79427, Jsp004750, 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-, (E)-, CHEMBL1173153, 1,3-Benzodioxole-5-acrylic acid, HMS1397A21, ZINC152476, ALBB-011737, BB_NC-00418, MIX-0050, ZX-AN010554, ZX-AT022873, ZX-BK000362, BBL012089, SBB042499, STK020097, AKOS000120493, CS-W010709, FCH2251759, FCH3417590, JS-3011, NCGC00182231-01, 3-(1,3-Benzodioxol-5-yl)propenoic acid, AJ-12741, BBV-39824094, P716, SC-02744, Cinnamic acid, 3,4-(methylenebis(oxy))-, 3-(3,4-methylenedioxyphenyl) acrylic acid, AB0017165, AX8012765, DB-069698, TC-113949, TR-011000, BB 0221182, FT-0082681, M0634, R1130, ST24028323, ST45026880, 3,4-(Methylenedioxy)cinnamic acid, pred.trans, 3-(3,4-methylene dioxo-phenyl)-acroleic acid, 3-(3,4-Methylenedioxyphenyl)-2-propenoic acid, C18077, 3-(2H-1,3-benzodioxol-5-yl)prop-2-enoic acid, 373M800, F2191-0041, (2E)-3-(2H-benzo[d]1,3-dioxolen-5-yl)prop-2-enoic acid, 3,4-(Methylenedioxy)cinnamic acid, predominantly trans, 99%, (2E)-3-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)prop-2-enoic acid, InChI=1/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)/b4-2, 3,4-(Methylenedioxy)cinnamicacid, C10H8O4, EINECS 219-151-0, C10-H8-O4, CID643181, trans-3,4-(Methylenedioxy)cinnamic acid, (2E)-3-(1,3-Benzodioxol-5-yl)-2-propenoic acid, AI3-03747, (E)-3-(benzo[d][1,3]dioxol-5-yl)acrylic acid, 3-(1,3-benzodioxol-5-yl)prop-2-enoic acid,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	192.042g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.17g/mol
Monoisotopic Mass	192.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^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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