AG002QQR

25173-72-2 | BENZENEPROPANOIC ACID, 3,4,5-TRIMETHOXY-

AG002QQR

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CAS Number	25173-72-2
Catalog Number	AG002QQR(AGN-PC-0JL6GA)
Chemical Name	BENZENEPROPANOIC ACID, 3,4,5-TRIMETHOXY-
EC Number	246-706-4
IUPAC Name	3-(3,4,5-trimethoxyphenyl)propanoic acid
InChI	InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChI Key	ZCYXGVJUZBKJAI-UHFFFAOYSA-N
MDL Number	MFCD00002775
Molecular Formula	C12H16O5
Molecular Weight	240.2524
NSC Number	169988
SMILES	O=C(O)CCC1=CC(OC)=C(OC)C(OC)=C1
Synonyms	3-(3,4,5-Trimethoxyphenyl)propanoic acid, 25173-72-2, 3-(3,4,5-Trimethoxyphenyl)propionic acid, Benzenepropanoic acid, 3,4,5-trimethoxy-, 3,4,5-Trimethoxyhydrocinnamic acid, 3,4,5-trimethoxydihydrocinnamic acid, 3,4,5-Trimethoxyphenylpropionic acid, CHEBI:583580, ZCYXGVJUZBKJAI-UHFFFAOYSA-N, 3,4,5-Trimethoxybenzenepropanoic acid, 3,4,5-trimethoxy-benzenepropanoic acid, 3-(3,4,5-Trimethoxyphenyl)propionic acid, 98%, EINECS 246-706-4, NSC169988, NSC 169988, ACMC-1CAZT, AI3-38431, Maybridge1_005958, AC1Q48DQ, Oprea1_083965, SCHEMBL429622, CHEMBL484645, MEGxp0_002067, ACon1_001226, CTK3J6696, HMS558G18, KS-00000GPD, ZINC73032, DTXSID60179842, AC1L2232, ALBB-025678, BBL003400, CCG-52269, MFCD00002775, SBB000794, STK803112, AKOS000119417, DS-6653, HY-W022390, MCULE-1453493621, NSC-169988, RTC-066442, Benzenepropanoic acid,3,4,5-trimethoxy-, NCGC00169556-01, AJ-10288, AK130351, AB0116388, DB-021607, TC-066442, TL8002049, 3-(3,4,5-trimethoxyphenyl) propionic acid, CS-0041622, FT-0613601, R1050, ST45028705, 3-(3,4,5-Trimethoxy-phenyl)-propionic acid, beta-(3,4,5-Trimethoxy phenyl)propionic acid, 3-(3',4',5'-trimethoxyphenyl)propionic acid, beta -(3,4,5-Trimethoxy phenyl)propionic acid, .beta.-(3,4,5-Trimethoxy phenyl)propionic acid, 3-(3,4,5-Trimethoxyphenyl)propionic acid, >=98%, I14-5174, J-015850, SR-01000641513-1, BRD-K95734889-001-01-9, Z56922108, NCGC00169556-02!3-(3,4,5-trimethoxyphenyl)propanoic acid, InChI=1/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14, CID64860, ACN-031411, C12-H16-O5, 3-(3,4,5-Trimethoxyphenyl)propanoicacid,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.1g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	240.255g/mol
Monoisotopic Mass	240.1g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	65A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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

Lot Number