AG002VVF

2861-28-1 | 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid

AG002VVF

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CAS Number	2861-28-1
Catalog Number	AG002VVF(AGN-PC-0BVV6Y)
Chemical Name	2-(Benzo[d][1,3]dioxol-5-yl)acetic acid
EC Number	220-679-9
IUPAC Name	2-(1,3-benzodioxol-5-yl)acetic acid
InChI	InChI=1S/C9H8O4/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H,10,11)
InChI Key	ODVLMCWNGKLROU-UHFFFAOYSA-N
MDL Number	MFCD00014576
Molecular Formula	C9H8O4
Molecular Weight	180.1574
NSC Number	14364
SMILES	O=C(O)CC1=CC=C(OCO2)C2=C1
Synonyms	2861-28-1, 1,3-Benzodioxole-5-acetic acid, 3,4-(Methylenedioxy)phenylacetic acid, 2-(Benzo[d][1,3]dioxol-5-yl)acetic acid, 3,4-Methylenedioxyphenylacetic acid, Homopiperonylic acid, Benzo-1,3-dioxole-5-acetic acid, (1,3-Benzodioxol-5-yl)acetic Acid, 1,3-Benzodioxol-5-ylacetic acid, 2-(2H-1,3-Benzodioxol-5-Yl)Acetic Acid, MFCD00014576, 2-(1,3-benzodioxol-5-yl)acetic acid, ODVLMCWNGKLROU-UHFFFAOYSA-N, 3,4-methylenedioxyphenyl acetic acid, benzo(1,3)dioxol-5-yl-acetic acid, Benzo[1,3]dioxol-5-yl-acetic acid, 3,4-(Methylenedioxy)phenylacetic acid, 98.5+%, 3,4-Methylendioxyphenylacetic acid, EINECS 220-679-9, PubChem24196, AI3-19940, ACMC-209h3q, AC1L2Q7J, AC1Q5VJ8, AC1Q74YY, AC1Q74ZR, Oprea1_381545, SCHEMBL138875, CTK1A4919, KS-00000CBV, ZINC58276, DTXSID80182792, BDBM231633, HMS1664D10, benzo[1,3]dioxol-5-ylacetic acid, 5-Carboxymethyl-1,3-benzodioxolane, NSC14364, (1,3-Benzodioxol-5-yl)acetic aci, 1,3-Benzodioxol-5-ylacetic acid #, 3,4(methylenedioxy)phenylacetic acid, 3,4-(Methylenedioxy)phenylaceticAcid, 5-(Carboxymethyl)-1,3-benzodioxole, ANW-26436, NSC-14364, SBB000212, STL553768, 2H-1,3-benzodioxol-5-ylacetic acid, (3,4-methylenedioxyphenyl)acetic acid, AKOS000295881, 2-benzo[1,3]dioxol-5-yl-acetic acid, AC-9153, AM84883, AN-7287, AS06118, CM13726, CS-W007484, MCULE-1406255316, PS-5821, RP24137, RTR-033581, TRA0003416, VZ20518, 3,4-(methylenedioxy) phenylacetic acid, 2-(1,3-benzodioxol-5-yl)-acetic acid, 2-(3,4-methylenedioxy)phenylacetic acid, 2-(3,4-methylenedioxyphenyl)acetic acid, 2-(benzo[1,3]dioxol-5-yl)acetic acid, Benzo-[1,3]-dioxole-yl-5-acetic acid, AJ-09864, BP-12600, SC-69602, SY003004, 2-(benzo[1,3]dioxol-5-yl)-acetic acid, AB0030496, AB1003577, DB-021961, TR-033581, 3,4-(Methylenedioxy)phenylacetic acid, 98%, 4CH-002252, FT-0614404, M1008, ST24039541, ST50306831, X2694, 2-(benzo[d][1,3]dioxol-5-yl)-acetic acid, EN300-52290, MFCD00014576 (98%), C-4880, AP-065/41718246, I04-4436, J-511101, 1,3-Benzodioxole-5-acetic acid, labeled with tritium, 1,3-Benzodioxole-5-acetic acid; Homopiperonylic acid, 2-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)acetic acid, 2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)acetic acid, F2191-0046, Z274782846, (3,4-DIHYDROXYPHENYL)ACETIC ACID, METHYLENE ETHER, 17561-21-6, C9H8O4, KST-1B2784, C9-H8-O4, CID76115, AR-1B6513, 3,4-(Methylenedioxy)phenylacetonitrile, 3,4-(Methylenedioxy)phenylacetic acid, 98% - 1G 1g, 2946-39-6, 11027-63-7,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.159g/mol
Monoisotopic Mass	180.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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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