AG002KXO

2107-70-2 | Benzenepropanoic acid, 3,4-dimethoxy-

AG002KXO

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CAS Number	2107-70-2
Catalog Number	AG002KXO(AGN-PC-0JLP2U)
Chemical Name	Benzenepropanoic acid, 3,4-dimethoxy-
EC Number	218-288-3
IUPAC Name	3-(3,4-dimethoxyphenyl)propanoic acid
InChI	InChI=1S/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChI Key	LHHKQWQTBCTDQM-UHFFFAOYSA-N
MDL Number	MFCD00002774
Molecular Formula	C11H14O4
Molecular Weight	210.2265
NSC Number	76043
SMILES	C1=C(C=C(C(=C1)OC)OC)CCC(=O)O
UNII	6XO32ZSP1D
Synonyms	2107-70-2, 3-(3,4-Dimethoxyphenyl)propionic acid, 3-(3,4-Dimethoxyphenyl)propanoic acid, 3,4-Dimethoxyhydrocinnamic acid, Benzenepropanoic acid, 3,4-dimethoxy-, MFCD00002774, UNII-6XO32ZSP1D, 6XO32ZSP1D, 3-(3,4-Dimethoxyphenyl)-propionic acid, 3-(3,4-Dimethoxy-phenyl)-propionic acid, CHEBI:44235, LHHKQWQTBCTDQM-UHFFFAOYSA-N, 3-(3,4-Dimethoxyphenyl)propionic acid, 99%, 3-(3,4-Dimethoxyphenyl)propionicAcid, PubChem8272, 2ay3, ACMC-1CMAA, AC1L2NUZ, AC1Q5VVW, AC1Q46TV, 4-Methoxydihydroferulic acid, Oprea1_529953, KSC489Q0F, MLS000779082, SCHEMBL347209, ARONIS003855, CHEMBL458049, Jsp004317, CTK3I9802, KS-00000CFV, KS-00003WRB, DTXSID70175294, 3,4-Dimethoxy-Hydrocinnamic Acid, HMS2761I14, HMS3604O10, KUC108681N, ZINC106688, NSC76043, STR05305, EINECS 218-288-3, ANW-24332, BBL008121, NSC 76043, NSC-76043, SBB043619, STK052389, AKOS000120617, AB00263, AC-3251, CS-W008790, DB04208, MCULE-7250132283, PS-4041, RP26563, RTC-066423, TRA0035069, VZ25961, 3-(3,4-Dimethoxyphenyl)propanonic acid, 3-(3,4-dimethoxyphenyl) propionic acid, NCGC00246520-01, AJ-11250, AK-42426, AN-13140, BR-42426, KSC-11-266-2, SMR000415779, ST040245, SY004783, 3-(3,4-Dimethoxyphenyl)propanoic acid #, (3,4-DIMETHOXYPHENYL)PROPIONIC ACID, 3,4-DIMETHOXY-BENZENEPROPANOIC ACID, AB0008245, AB1007969, DB-021922, TC-066423, AM20060962, BB 0256600, D1953, FT-0613604, ST24032556, 3,4-dimethoxy-alpha-beta-dihydrocinnamic acid, MFCD00002774 (98%), A24438, C-4786, 107D702, I01-1439, J-510579, W-107576, F3145-3172, InChI=1/C11H14O4/c1-14-9-5-3-8(4-6-11(12)13)7-10(9)15-2/h3,5,7H,4,6H2,1-2H3,(H,12,13, C11H14O4, CID75019, 3-(3,4-dimethoxyphenyl)propansaure, AR-1E6510, 2-HYDRAZINYL-3-METHOXYPYRAZINE, ACN-031366, 3-(3,4-Dimethoxyphenyl)propionic acid, 99% - 10G 10g, MPP, 717-94-2, 74515-25-6,

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	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number