AG003TT3

94-53-1 | Benzo[d][1,3]dioxole-5-carboxylic acid

AG003TT3

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CAS Number	94-53-1
Catalog Number	AG003TT3(AGN-PC-0JK7YX)
Chemical Name	Benzo[d][1,3]dioxole-5-carboxylic acid
EC Number	202-342-8
IUPAC Name	1,3-benzodioxole-5-carboxylic acid
InChI	InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
InChI Key	VDVJGIYXDVPQLP-UHFFFAOYSA-N
MDL Number	MFCD00005830
Molecular Formula	C8H6O4
Molecular Weight	166.1308
NSC Number	10072
SMILES	C(=O)(O)c1cc2c(cc1)OCO2
UNII	QX3V1NO0KH
Synonyms	3,4-(methylenedioxy)benzoic acid, piperonylic acid, piperonylic acid, sodium salt, PIPERONYLIC ACID, 94-53-1, 1,3-Benzodioxole-5-carboxylic acid, Benzo[d][1,3]dioxole-5-carboxylic acid, Heliotropic acid, 3,4-Methylenedioxybenzoic acid, 2H-1,3-Benzodioxole-5-Carboxylic Acid, benzo[1,3]dioxole-5-carboxylic acid, Protocatechuic acid methylene ether, 5-Benzodioxolecarboxylic acid, 3,4-Dioxymethylenebenzoic acid, 3,4-Methylene dioxybenzoic acid, UNII-QX3V1NO0KH, 3,4-(Methylenedioxy)benzoic acid, MFCD00005830, NSC 10072, Benzoic acid, 3,4-(methylenedioxy)-, Piperonylic acid, 99%, EINECS 202-342-8, QX3V1NO0KH, AI3-05972, VDVJGIYXDVPQLP-UHFFFAOYSA-N, 2H-benzo[d]1,3-dioxolene-5-carboxylic acid, piperonylsaure, PiperonylicAcid, 4ddk, PubChem9772, Spectrum_001164, ACMC-209rsh, Spectrum3_001022, Spectrum4_001152, 5-carboxy-1,3-benzodioxole, 3,4-dioxymethylenebenzoicacid, BSPBio_002803, KBioGR_001723, KBioSS_001644, SPECTRUM500580, KSC486O0R, SCHEMBL142318, AC1L1O84, AC1Q73V3, AMBZ0455, CHEMBL573781, protocatechuic acid methylenether, 3,4-methylenedioxy-benzoic acid, DTXSID6059104, CTK3I6708, KBio2_001644, KBio2_004212, KBio2_006780, KBio3_002023, VDVJGIYXDVPQLP-UHFFFAOYSA-, 3,4-(Methylendioxy)benzoic acid, 3,4-(methylenedioxy)benzoic-acid, Benzoic acid,4-(methylenedioxy)-, CHEBI:107644, BDBM153299, PIPERONYLIC ACID-2,2-D2, SP346, ZINC158540, 1,3-Benzodioxole-5-carboxylicacid, 1,3-Benzodioxole-5-carboxylic aci, 3, 4-(Methylenedioxy)benzoic acid, 3,4-(Methylenedioxy)-Benzoic acid, ACT03321, CS-D1455, KS-00000CG1, NSC10072, STR05605, 1-3-Benzodioxole-5-carboxylic acid, ANW-40287, BBL011979, HTS006395, KM3294, NSC-10072, SBB003897, STK397540, 1,3-Benzodioxole -5-carboxylic acid, 1,3-benzodioxole-5-carbonsäure, AKOS000113163, benzo[1,3]-dioxole-5-carboxylic acid, BS-3899, CCG-214272, FR-1276, MCULE-6703120222, RP02454, RTR-029546, SDCCGMLS-0065919.P001, SDCCGMLS-0065919.P002, TRA0044984, Benzo[d][I,3]dioxole-5-carboxylic acid, NCGC00095970-01, NCGC00095970-02, AC-11342, AJ-15209, AK-79145, AN-42695, LS-34652, SC-07412, ST097623, SY004612, 1,3-Benzodioxole-5-carboxylic acid, 9CI, Piperonylic acid, purum, >=97.0% (T), AB1000155, DB-011499, TR-029546, AM20060211, FT-0631477, P0459, ST24024630, AZ0001-0307, MFCD00005830 (98%), AE-562/40258182, I04-0207, Piperonylic Acid; 3,4-(Methylenedioxy)benzoic acid, W-100193, BRD-K52148119-001-01-5, BRD-K52148119-001-02-3, F3318-0150, Z256709122, InChI=1/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10), 0HN, piperonylsyre-, Piperonic acid, C8H6O4, CID7196, C8-H6-O4, ACN-038362, Piperonylic acid, 99% - 25G 25g, Benzo(d)-1,3-dioxacyclopentan-4'-carbonsaure,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.027g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.132g/mol
Monoisotopic Mass	166.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H318-H335-H319
Packing Group
Precautionary statements	P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280a-P304+P340-P405-P501a-P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number