AG003I1R

1078-61-1 | 3-(3,4-Dihydroxyphenyl)propanoic acid

AG003I1R

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

CAS Number	1078-61-1
Catalog Number	AG003I1R(AGN-PC-0JMIQF)
Chemical Name	3-(3,4-Dihydroxyphenyl)propanoic acid
EC Number	214-083-8
IUPAC Name	3-(3,4-dihydroxyphenyl)propanoic acid
InChI	InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
InChI Key	DZAUWHJDUNRCTF-UHFFFAOYSA-N
MDL Number	MFCD00002776
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	C(CC(=O)O)c1cc(O)c(cc1)O
UNII	MSW0228VUB
Synonyms	3,4-dihydroxyhydrocinnamic acid, 3,4-dihydroxyphenylpropionic acid, 3,4-dihydroxyphenylpropionic acid, potassium salt, 3-(3,4-dihydroxyphenyl)propionic acid, dihydrocaffeic acid, Dihydrocaffeic acid, 1078-61-1, 3-(3,4-Dihydroxyphenyl)propionic acid, Hydrocaffeic acid, 3,4-Dihydroxyhydrocinnamic acid, 3-(3,4-Dihydroxyphenyl)propanoic acid, Benzenepropanoic acid, 3,4-dihydroxy-, Hydrocaffeic acid polymer, 3,4-Dihydroxybenzenepropanoic acid, HYKOP, 3,4-Dihydroxybenzenepropionic acid, 3,4-dihydroxyhydrocinnamate, CHEBI:48400, 3,4-Dihydroxydihydrocinnamic acid, DZAUWHJDUNRCTF-UHFFFAOYSA-N, Hydrocaffeate, MFCD00002776, NSC624007, 71693-95-3, 3,4-Dihydroxy-beta-phenylpropionic acid, 3,4-Dihydroxyphenylpropanoate, Dihydrocafeate, Dihydrocaffeate, zlchem 1078, ACMC-1BOYJ, bmse000680, AC1L88XM, 3,4-Dihydroxydihydrocinnamate, 3,4-Dihydroxyphenylpropionate, SCHEMBL245530, 3,4-Dihydroxybenzenepropionate, CHEMBL136927, cid_348154, Hydrocinnamic acid,4-dihydroxy-, 3,4-dihydroxybenzenepropanoicacid, BDBM41957, CTK0H6944, 3,4-Dihydroxy-b-phenylpropionate, 3,4-dihydroxy-benzenepropanoicaci, 3,4-dihydroxyhydro cinnamic acid, 3,4-HPA, DTXSID40221919, ZLD0544, ZINC388044, 3-(3,4-Dihydroxyphenyl)propionate, AC1Q7586, KS-00000WJ3, 3,4-Dihydroxy-beta-phenylpropionate, BBL027403, NSC407275, SBB068270, STL377912, 3,4-Dihydroxy-b-phenylpropionic acid, AKOS015856196, 3,4-Dihydroxyhydrocinnamic acid, 98%, MCULE-4912045197, NSC-407275, NSC-624007, RP24319, 3-(3,4-dihydroxy-phenyl)-propionic acid, AK305409, SC-25524, ST088603, 3-(3,4-Dihydroxyphenyl)propanoic acid #, beta-(3,4-dihydroxyphenyl) propionic acid, 3-[3,4-bis(oxidanyl)phenyl]propanoic acid, DB-040792, TC-066391, FT-0613602, 3,4-dihydroxy-(6CI,7CI,8CI)Hydrocinnamate, 3-(3,4-DIHYDROXYPHENYL)PROPIONICACID, C10447, 3,4-dihydroxy-(6CI,7CI,8CI)Hydrocinnamic acid, I14-5755, J-510568, BF0C7A6D-A5FC-4B39-819E-5ECC037C0C39, InChI=1/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13, caffeic acid, 3,4-Dihydroxyphenylpropionic acid, 3,4-dihydrocaffeic acid, UNII-MSW0228VUB, MSW0228VUB, Hydrocinnamic acid, 3,4-dihydroxy-, 3-(3,4-dihydroxyphenyl)propanoate, Benzenepropanoic acid,4-dihydroxy-, NSC 624007, EINECS 214-083-8, C9-H10-O4, CID348154, ACN-031367, NSC 407275, BRN 2213449, 3,4-dihydroxyphenylpropionic acid, potassium salt, 3-10-00-01517 (Beilstein Handbook Reference), C000995, 2H-Pyrimido[1,2-a]pyrimidine,1,3,4,6,7,8-hexahydro-1-methyl-, DHC,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	182.175g/mol
Monoisotopic Mass	182.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number