4-Hydroxy-7-methoxycoumarin - CAS 17575-15-4

Catalog:	BB013165
Product Name:	4-Hydroxy-7-methoxycoumarin
CAS:	17575-15-4
Synonyms:	4-hydroxy-7-methoxy-1-benzopyran-2-one; 4-hydroxy-7-methoxychromen-2-one

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Computed Properties

IUPAC Name:	4-hydroxy-7-methoxychromen-2-one
Description:	4-Hydroxy-7-methoxycoumarin (CAS# 17575-15-4) is a compound useful in organic synthesis.
Molecular Weight:	192.17
Molecular Formula:	C10H8O4
Canonical SMILES:	COC1=CC2=C(C=C1)C(=CC(=O)O2)O
InChI:	InChI=1S/C10H8O4/c1-13-6-2-3-7-8(11)5-10(12)14-9(7)4-6/h2-5,11H,1H3
InChI Key:	MJBHLQMPKBMZSF-UHFFFAOYSA-N
Boiling Point:	345.6 °C at 760 mmHg
Density:	1.412 g/cm³
MDL:	MFCD00673700
LogP:	1.50720

Publication Number	Title	Priority Date
CN-112574159-A	Coumarin derivatives and analogs, and preparation method and application thereof	20190929
WO-2021047674-A1	Bicyclic compound that acts as crbn protein regulator	20190912
CN-112010844-A	Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor	20190531
US-2020147039-A1	Compounds useful in inhibiting human trefoil factor 3	20170605
EP-3233826-A1	New antibacterial compounds	20141217

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Isochroman
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[4139-61-1]
6-Bromo-4-hydroxycoumarin
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7-Chloro-4-hydroxy-2H-chromen-2-one
[33259-31-3]
3-amino-7-methoxy-2H-chromen-2-one

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.04225873
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.04225873
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2