1,2-Dihydroxy-3-methylanthraquinone

HCID 429241
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Basic information

CAS
602-63-1
Standard SMILES
Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O
InChIKey
QPAGCTACMMYJIO-UHFFFAOYSA-N
Molecular formula
C15H10O4
Average molar mass
254.24 g/mol
Monoisotopic mass
254.0579088

Overview

1,2-DIHYDROXY-3-METHYLANTHRAQUINONE has been reported in Rubia wallichiana, Ophiorrhiza pumila, and other organisms with data available.

Names & identifiers

Preferred name
1,2-Dihydroxy-3-methylanthraquinone
IUPAC
1,2-dihydroxy-3-methylanthracene-9,10-dione
English name
1,2-Dihydroxy-3-methylanthraquinone
Molecular formula
C15H10O4
Molecular weight
254.24

Names & synonyms

602-63-11,2-DIHYDROXY-3-METHYLANTHRAQUINONE1,2-dihydroxy-3-methylanthracene-9,10-dioneDTXSID80330372RefChem:1052273DTXCID90281467MFCD090305241,2-dihydroxy-3-methyl-anthracene-9,10-dioneMethylalizarinNSC251672CHEMBL190512orb1992079
Show more names
9,10-Anthracenedione, 1,2-dihydroxy-3-methyl-
SCHEMBL31820919, 1,2-dihydroxy-3-methyl-SCHEMBL30260040QPAGCTACMMYJIO-UHFFFAOYSA-N1,2-dihyroxy-3-methyl anthraquinoneAC1262AKOS015963922NSC-251672

Database identifiers

CAS
602-63-1
PubChem CID
429241
DTXSID
DTXSID80330372
ChEMBL
CHEMBL190512
Nikkaji
J96.113B

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
19

Physicochemical properties

Melting point
245 · 245-246 °C
Boiling point
460.3 · 460.3±45.0 °C(Predicted)
Density
1.476 · 1.476±0.06 g/cm3(Predicted)
pka
7.03 · 7.03±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Suppliers16 total

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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