AG003HZT

10538-48-4 | 3-(2,3-Dimethoxyphenyl)propanoic acid

AG003HZT

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CAS Number	10538-48-4
Catalog Number	AG003HZT(AGN-PC-0JOV88)
Chemical Name	3-(2,3-Dimethoxyphenyl)propanoic acid
IUPAC Name	3-(2,3-dimethoxyphenyl)propanoic acid
InChI	InChI=1S/C11H14O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-5H,6-7H2,1-2H3,(H,12,13)
InChI Key	QPHAUUNQQLRYCJ-UHFFFAOYSA-N
MDL Number	MFCD00029821
Molecular Formula	C11H14O4
Molecular Weight	210.2265
NSC Number	235796
SMILES	COC1=CC=CC(CCC(O)=O)=C1OC
Synonyms	3-(2,3-Dimethoxyphenyl)propanoic acid, 10538-48-4, 3-(2,3-Dimethoxyphenyl)propionic acid, Benzenepropanoic acid, 2,3-dimethoxy-, 2,3-Dimethoxy-benzenepropanoic acid, MFCD00029821, NSC235796, AC1L7QLR, ACMC-1BQT5, 2.3-Dimethoxyhydrozimtsaure, AC1Q46FF, Oprea1_274093, MLS000058507, SCHEMBL490691, CHEMBL1589084, CTK4A3801, DTXSID70311019, QPHAUUNQQLRYCJ-UHFFFAOYSA-N, HMS1764M15, HMS2389P13, ALBB-025343, BB_NC-02632, ZINC1762244, ZX-AN023857, 1235AA, ANW-56190, BBL027913, SBB072491, STL140697, Benzenepropanoic acid,2,3-dimethoxy-, AKOS000206921, CS-W015115, MCULE-5433137480, NSC-235796, 3-(2,3-dimethoxyphenyl)-propanoic acid, AJ-31600, CC-12194, SMR000068030, 3-(2,3-Dimethoxy-phenyl)-propionic acid, AX8079159, DB-021573, TC-066424, BB 0243012, FT-0636731, ST45028328, 3-(2,3-Dimethoxyphenyl)propionic acid, 99%, C-5405, C-10850, I01-7817, J-001409, Z85919064, F0913-5476, C11H14O4, CID314929, ACN-031354,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.089g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.229g/mol
Monoisotopic Mass	210.089g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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