AG00IGZC

92-61-5 | 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-

AG00IGZC

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CAS Number	92-61-5
Catalog Number	AG00IGZC(AGN-PC-0LPKDC)
Chemical Name	2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-
EC Number	202-171-9
IUPAC Name	7-hydroxy-6-methoxychromen-2-one
InChI	InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChI Key	RODXRVNMMDRFIK-UHFFFAOYSA-N
MDL Number	MFCD00006872
Molecular Formula	C10H8O4
Molecular Weight	192.1681
NSC Number	405647
SMILES	COC1=C(O)C=C2OC(=O)C=CC2=C1
UNII	KLF1HS0SXJ
Synonyms	Acid, Chrysotropic, Acid, Gelseminic, Chrysotropic Acid, Gelseminic Acid, Methylesculetin, Scopoletin, scopoletin, 92-61-5, Gelseminic acid, 6-Methylesculetin, 7-Hydroxy-6-methoxy-2H-chromen-2-one, Chrysatropic acid, 7-Hydroxy-6-methoxycoumarin, Scopoletine, Murrayetin, Scopoletol, 6-O-Methylesculetin, Escopoletin, 6-Methoxy-7-hydroxycoumarin, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, 6-Methoxyumbelliferone, 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-, Esculetin 6-methyl ether, Esculetin-6-methyl ether, beta-Methylesculetin, .beta.-Methylesculetin, Buxuletin, UNII-KLF1HS0SXJ, COUMARIN, 7-HYDROXY-6-METHOXY-, 7-hydroxy-6-methoxychromen-2-one, 7-Hydroxy-5-methoxycoumarin, NSC 405647, CCRIS 3592, KLF1HS0SXJ, EINECS 202-171-9, MFCD00006872, NSC405647, BRN 0156296, CHEMBL71851, CHEBI:17488, RODXRVNMMDRFIK-UHFFFAOYSA-N, 7-hydroxy-6-methoxy-chromen-2-one, TNP00096, Scopoletin, 95%, NSC-405647, AK111291, S-2000, 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy- (9CI), Chrysotropic Acid, Acid, Gelseminic, Scopoletin solution, 100 mM in DMSO, Acid, Chrysotropic, SMR000112541, 92-61-5 solution, 100 mM in DMSO, Gelseminic acid solution, 100 mM in DMSO, 6-Methylesculetin solution, 100 mM in DMSO, SR-01000841273, Baogongteng B, b-Methylaesculetin, beta -methylesculetin, PubChem15777, Scopoletin, >=99%, Prestwick0_000962, Prestwick1_000962, Prestwick2_000962, Prestwick3_000962, Spectrum2_001207, Spectrum3_001532, Spectrum4_001054, Spectrum5_000654, Aesculetin 6-methyl ether, AC1NQX27, BIDD:PXR0125, BSPBio_000963, BSPBio_002944, KBioGR_001348, 5-18-03-00203 (Beilstein Handbook Reference), 7-hydroxy-6-methoxy-coumarin, MLS002154074, MLS002472878, DivK1c_000720, SCHEMBL147702, SPECTRUM1502242, 7-hydroxy 6-methoxy coumarine, SPBio_000994, SPBio_002884, Scopoletin, analytical standard, BPBio1_001061, MEGxp0_001192, DTXSID0075368, ACon1_000143, HMS502D22, KBio1_000720, KBio3_002444, KS-00000YGS, ZINC57733, BIS1402, NINDS_000720, ZX-AFC000681, HMS1571A05, HMS1921N16, HMS2098A05, HMS2268G04, ALBB-023369, BCP13342, HY-N0342, ZX-AN021883, ZX-AT021192, 6-methoxy-7-oxidanyl-chromen-2-one, BDBM50156693, CCG-39140, TD8126, Scopoletin solution, 20 mM in DMSO, AKOS000277133, CS-5791, FCH1115349, MCULE-6077230919, OR22352, RTR-029034, CAS-92-61-5, IDI1_000720, 7-hydroxy-6-methoxy-1-benzopyran-2-one, 92-61-5 solution, 20 mM in DMSO, NCGC00016349-01, NCGC00016349-02, NCGC00016349-03, NCGC00016349-04, NCGC00016349-05, NCGC00016349-06, NCGC00016349-07, NCGC00016349-08, NCGC00094973-01, NCGC00094973-02, NCGC00094973-03, 4CN-0905, AJ-09778, AN-42608, CC-34387, LS-55217, NCI60_003834, SC-90283, ST056287, ZB002243, 7-Hydroxy-6-methoxy-2H-chromen-2-one #, Gelseminic acid solution, 20 mM in DMSO, AB0019688, AX8035441, TR-029034, 6-Methylesculetin solution, 20 mM in DMSO, AB00443525, FT-0631451, S0367, ST24045669, C01752, W-3522, 006S872, A844290, C-30831, SR-01000841273-3, SR-01000841273-4, 7-hydroxy-6-methoxycoumarin solution, 20 mM in DMSO, BRD-K96163925-001-06-5, BRD-K96163925-001-09-9, I14-14171, 0B4B9FAA-686D-4977-AA08-65F8E4F1977C, 7-hydroxy-6-methoxychromen-2-one solution, 20 mM in DMSO, Scopoletin, United States Pharmacopeia (USP) Reference Standard, Methylesculetin, D05QOR, 7-hydroxy-6-methoxycumarin, C10H8O4, C10-H8-O4, ACN-035359, CID5280460, Scopoletin (7-hydroxy-6-methoxycumarin), V0141, Scopoletin, 98%, from Morus alba L. - 1g 1g, D012603,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.042g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.17g/mol
Monoisotopic Mass	192.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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