AG00IKJP

486-35-1 | 2H-1-Benzopyran-2-one, 7,8-dihydroxy-

AG00IKJP

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CAS Number	486-35-1
Catalog Number	AG00IKJP(AGN-PC-0LPKDH)
Chemical Name	2H-1-Benzopyran-2-one, 7,8-dihydroxy-
EC Number	207-632-8
IUPAC Name	7,8-dihydroxychromen-2-one
InChI	InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
InChI Key	ATEFPOUAMCWAQS-UHFFFAOYSA-N
MDL Number	MFCD00016977
Molecular Formula	C9H6O4
Molecular Weight	178.1415
NSC Number	633563
SMILES	O=C1C=CC2=C(O1)C(O)=C(O)C=C2
UNII	XC84571RD2
Synonyms	7,8-dihydroxycoumarin, daphnetin, daphnetin, 7,8-Dihydroxycoumarin, 486-35-1, Daphnetol, 7,8-Dihydroxy-2H-chromen-2-one, 7,8-Dihydroxy-2H-1-benzopyran-2-one, 7,8-dihydroxychromen-2-one, 7,8-DIHYDROXY-2H-BENZOPYRAN-2-ONE, UNII-XC84571RD2, 2H-1-Benzopyran-2-one, 7,8-dihydroxy-, TCMDC-125839, COUMARIN, 7,8-DIHYDROXY-, EINECS 207-632-8, NSC 633563, BRN 0009372, CHEMBL244948, CHEBI:17313, XC84571RD2, 7,8-Dihydroxycoumarin (Daphnetin), MFCD00016977, NSC633563, AK170408, AE-641/02519040, Q-100543, SMR001230713, SR-01000075820, 1,8-Dihydroxycoumarin, PubChem13303, 7,8-dihydroxy-coumarin, ACMC-1AKCA, SpecPlus_000864, AC1NQX8J, Spectrum3_000784, Spectrum4_001254, Lopac-D-5564, Lopac0_000330, Oprea1_044324, BSPBio_002488, Daphnetin, 486-35-1, KBioGR_001808, 5-18-03-00211 (Beilstein Handbook Reference), MLS002153288, MLS006012039, DivK1c_006960, SCHEMBL128212, 7,8-Dihydroxycoumarin, 90%, CTK1D5894, KBio1_001904, KBio3_001708, ZINC57753, 7,8-bis(oxidanyl)chromen-2-one, DTXSID00197560, ATEFPOUAMCWAQS-UHFFFAOYSA-N, HMS3261A21, HMS3656G16, 7,8-dihydroxy-1-benzopyran-2-one, HY-N0281, Tox21_500330, ANW-43482, BBL036425, BDBM50206006, CCG-39736, CD0136, HSCI1_000053, s2554, 7,8-Dihydroxy-2H-chromen-2-one #, 7,8-DIHYDROXY-CHROMEN-2-ONE, AKOS000277449, FCH1116232, LP00330, MCULE-9549774136, NSC-633563, PB17055, RP09500, KS-0000122Z, 7,8-Dihydroxycoumarin, >=97%, powder, NCGC00015349-01, NCGC00015349-02, NCGC00015349-03, NCGC00015349-04, NCGC00015349-05, NCGC00015349-06, NCGC00093770-01, NCGC00093770-02, NCGC00261015-01, AN-10899, CC-26254, LS-55162, OR345097, SC-13560, ZB002254, TC-132227, CS-0008778, D4001, EU-0000106, EU-0100330, FT-0603132, N1567, ST50308908, SW000346-2, V0328, C03093, D 5564, Q-1224, 2H-1-Benzopyran-2-one, 7,8-dihydroxy- (9CI), 486D351, A827573, C-06353, SR-01000075820-1, SR-01000075820-2, BRD-K61269089-001-01-4, BRD-K61269089-001-02-2, I14-12304, InChI=1/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12, C9H6O4, C9-H6-O4, ACN-035588, CID5280569, A10286, C039952, Daphnetin, 98%, from Daphne koreana - 20MG 20mg, 106754-20-5,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.027g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	178.143g/mol
Monoisotopic Mass	178.027g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66.8A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number