AG00ILNF

479-66-3 | 1H,3H-Pyrano[4,3-b][1]benzopyran-9-carboxylic acid,4,10-dihydro-3,7,8-trihydroxy-3-methyl-10-oxo-

AG00ILNF

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CAS Number	479-66-3
Catalog Number	AG00ILNF(AGN-PC-0RXTOQ)
Chemical Name	1H,3H-Pyrano[4,3-b][1]benzopyran-9-carboxylic acid,4,10-dihydro-3,7,8-trihydroxy-3-methyl-10-oxo-
IUPAC Name	3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylic acid
InChI	InChI=1S/C14H12O8/c1-14(20)3-8-5(4-21-14)11(16)9-7(22-8)2-6(15)12(17)10(9)13(18)19/h2,15,17,20H,3-4H2,1H3,(H,18,19)
InChI Key	FCYKAQOGGFGCMD-UHFFFAOYSA-N
MDL Number	MFCD09838488
Molecular Formula	C14H12O8
Molecular Weight	308.2403
SMILES	OC1(CC=2OC3=C(C(C2CO1)=O)C(=C(C(=C3)O)O)C(=O)O)C
Synonyms	fulvic acid, FULVIC ACID, 479-66-3, AC1NSDZL, Fulvic acid, AldrichCPR, 3,7,8-Trihydroxy-3-methyl-10-oxo-1,3,4,10-tetrahydropyrano[4,3-b]chromene-9-carboxylic acid, 1H,3H-Pyrano[4,3-b][1]benzopyran-9-carboxylic acid, 4,10-dihydro-3,7,8-trihydroxy-3-methyl-10-oxo-, 3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylic acid, 1H,3H-Pyrano(4,3-b)(1)benzopyran-9-carboxylic acid, 4,10-dihydro-3,7,8-trihydroxy-3-methyl-10-oxo-, Fulvinsaure, SCHEMBL345951, CTK1D8467, FCYKAQOGGFGCMD-UHFFFAOYSA-N, MFCD09838488, AKOS030528303, AN-45173, 479F663, 1H,3H-Pyrano[4,3-b][1]benzopyran-9-carboxylicacid, 4,10-dihydro-3,7,8-trihydroxy-3-methyl-10-oxo-, 3,4-Dihydro-3,7,8-trihydroxy-3-methyl-10-oxo-1H,10H-pyrano(4,3-b)(1)benzopyran-9-carboxylic acid, 3,7,8-Trihydroxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano[4,3-b]chromene-9-carboxylic acid #, NCGC00381178-01!3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylic acid, Fulvicacid, UNII-XII14C5FXV, XII14C5FXV, CID5359407, C005023, 3,4-dihydro-3,7,8-trihydroxy-3-methyl-10-oxo-1H, 10H-pyrano(4,3-b)(1)benzopyran-9-carboxylic acid,

Complexity	555
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	308.053g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	308.242g/mol
Monoisotopic Mass	308.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	134A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H332
Packing Group	\N
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

Lot Number