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AG01FSQE

13392-26-2 | 2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol

AG01FSQE

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CAS Number	13392-26-2
Catalog Number	AG01FSQE(AGN-PC-072XR7)
Chemical Name	2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
IUPAC Name	2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
InChI	InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2
InChI Key	PFTAWBLQPZVEMU-UHFFFAOYSA-N
MDL Number	MFCD00066757
Molecular Formula	C15H14O6
Molecular Weight	290.2681
SMILES
Synonyms	DL-Catechin, L-Epicatechin, 2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol, 13392-26-2, 7295-85-4, (+/-)-Catechin, epi-Catechol, CHEBI:23053, PFTAWBLQPZVEMU-UHFFFAOYSA-N, 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (+/-)-Epicatechin, 2-(3,4-Dihydroxyphenyl)chromane-3,5,7-triol, (-)-3,5,7,3',4'-PENTAHYDROXYFLAVAN, 17334-50-8, (-)-Catechol, Epicatechol, (-)-, catechins, Catachin, MFCD00075648, NCGC00015215-02, AK105372, EINECS 241-357-4, NSC 81162, 2-(3,4-Dihydroxyphenyl)-3,5,7-chromanetriol #, AC1Q7ACJ, Prestwick3_000817, Epicatechin, (+/-)-, (-) CATECHIN, AC1L1AY8, AC1Q7A0F, SCHEMBL19411, BSPBio_000713, epi-?Catechin 3-?O-?gallate, BPBio1_000785, CHEMBL206452, Jsp006371, SCHEMBL10001669, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3R)-, HMS1664H16, 3,3',4',5,7-pentahydroxyflavan, 2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-, GP4379, AKOS016009549, cis-(1)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (+)-3,3',4',5,7-Flavanpentol, MCULE-4219942050, NCGC00015215-03, NCGC00015215-04, NCGC00095270-01, NCGC00095270-02, 4CN-0918, 4CN-0944, AK-77017, AK111290, AN-45263, SC-65140, SC-86438, AX8034759, AB00513926, (-)-cis-3,3',4',5,7-Pentahydroxyflavane, (?)-cis-3,3',4',5,7-Pentahydroxyflavane, C17590, cis-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol, trans-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol, BRD-A61899133-002-02-2, 714E3A52-14F7-4C41-BF5D-1DAA0C81FCC5, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2R,3S)-rel-, Epicatechin, CATECHIN, (-)-Epicatechin, (+)-catechin, epi-Catechin, catechol, (+)-Epicatechin, Cianidanol, Epicatechol, l-Acacatechin, l-Epicatechol, dl-Catechol, Catechin l-form, D-Catechin, (+)-Catechin Hydrate, Catechine dl-form, (-)-Epicatechol, (+-)-catechin, ( -)-Catechin, Catechol, (.+.)-, D05TPI, D0V7AA, (2R,3R)-(-)-Epicatechin, UNII-5J4Y243W61, 490-46-0, CID1203, C15H14O6.H2O, C15H14O6, NSC81746, EINECS 230-731-2, EINECS 236-471-6, AR-1I6802, c0705, C15-H14-O6.H2-O, NSC 81161, C15-H14-O6, 154-23-4, (2S,3S)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol, 35323-91-2, (-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-ol, (2S,3R)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol, (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol, 18829-70-4, 863-03-6, 88191-48-4, trans-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2R-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol monohydrate, 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol monohydrate, (2R-trans)-, 2H-1-benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R,3S)-rel-, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2R-cis)-, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, trans-(.+.)-, Cis-(+-)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, monohydrate, (2R-trans)-, 7570-47-0,

Complexity	364
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.079g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	290.271g/mol
Monoisotopic Mass	290.079g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited