AG0033GI

1135-23-5 | 3-(4-hydroxy-3-methoxyphenyl)propionic Acid

AG0033GI

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CAS Number	1135-23-5
Catalog Number	AG0033GI(AGN-PC-005K7C)
Chemical Name	3-(4-hydroxy-3-methoxyphenyl)propionic Acid
EC Number	214-489-5
IUPAC Name	3-(4-hydroxy-3-methoxyphenyl)propanoic acid
InChI	InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)
InChI Key	BOLQJTPHPSDZHR-UHFFFAOYSA-N
MDL Number	MFCD00016558
Molecular Formula	C10H12O4
Molecular Weight	196.1999
SMILES	OC1=C(C=C(C=C1)CCC(=O)O)OC
UNII	O01RNC700M
Synonyms	dihydroferulic acid, 1135-23-5, 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid, 3-(4-Hydroxy-3-methoxyphenyl)propionic acid, dihydroferulic acid, Hydroferulic acid, Dihydroconiferylic acid, UNII-O01RNC700M, Benzenepropanoic acid, 4-hydroxy-3-methoxy-, O01RNC700M, BOLQJTPHPSDZHR-UHFFFAOYSA-N, 3-(4-Hydroxymethyl)propionic acid, .beta.-(4-Hydroxy-3-methoxyphenyl)propionic acid, MFCD00016558, 3-(4-hydroxy-3-methoxy-phenyl)propanoic acid, Hydroferulic, hydroferulic-acid, EINECS 214-489-5, ACMC-2099ju, bmse010023, AC1L23MS, SCHEMBL347918, CHEMBL387842, CHEBI:86612, CTK4A8341, DTXSID90150427, ZINC156571, KS-000016CA, 2306AA, ANW-16648, BBL022694, SBB014922, STK662207, AKOS000166726, DS-6102, MCULE-6192664785, VZ26020, AJ-13846, AK113150, SC-28078, ST092339, 3-(4-Hydroxy-3-methoxyphenyl)propionicAcid, Benzenepropanoic acid, 4-hydroxy-3-methoxy, Benzenepropanoic acid,4-hydroxy-3-methoxy-, DB-021661, TR-002614, FT-0613672, H2399, 3-(4-hydroxy-3-methoxy-phenyl)propionic acid, 3-(4-hydroxy-3-methoxyphenyl)-propionic acid, 3-(4-hydroxy-3-methoxy-phenyl)-propionic acid, 3-(4-Hydroxy-3-methoxyphenyl)propanoic acid #, I04-5747, J-002977, F1905-6428, 3-(4-Hydroxy-3-methoxyphenyl)propionic acid, >=96.0% (T), Homovanillinic acid, C10H12O4, CID14340, C10-H12-O4, 3-(4-Hydroxy-3-methoxyphenyl)propanoicacid, H1180, 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 3-(4-Hydroxy-3-methoxyphenyl)propionic acid, 96% - 1G 1g, FER,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.202g/mol
Monoisotopic Mass	196.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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