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3-PHENYLUMBELLIFERONE

3-PHENYLUMBELLIFERONE structure

CAS No:
6468-96-8
Formula:
C15H10O3
Chemical Name:
3-PHENYLUMBELLIFERONE
Synonyms:
AKOS BBS-00006093;3-PHENYLUMBELLIFERONE;7-HYDROXY-3-PHENYLCOUMARIN;3-PHENYL-7-HYDROXYCOUMARIN;7-Hydroxy-3-phenyl-2H-benzopyran-2-one;7-Hydroxy-3-phenyl-2H-1-benzopyran-2-one;3-PHENYLUMBELLIFERONE, FOR FLUOR-ESCENCE;7-HYDROXY-3-PHENYLCOUMARIN (3-PHENYLUMBELLIFERONE)
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-PHENYLUMBELLIFERONE Basic Attributes

Molecular Weight：

238.24

Exact Mass：

238.06300

DSSTox ID：

DTXSID60419831

HScode：

2932209090

Characteristics

PSA：

46.5

XLogP3：

3.16560

Density：

1.34g/cm3

Melting Point：

206-210 °C(lit.)

Boiling Point：

471.8ºC at 760 mmHg

Flash Point：

210.1ºC

Refractive Index：

1.666

Water Solubility：

DMF: soluble

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

34-36/37/38

safety instructions：

22-24/25-45-37/39-36/37/39-27-26

Marks：

C,Xi

3-PHENYLUMBELLIFERONE Use and Manufacturing

Suitable as pH indicator

Computed Properties

Molecular Weight:238.24
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:238.062994177
Monoisotopic Mass:238.062994177
Topological Polar Surface Area:46.5
Heavy Atom Count:18
Complexity:355
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes