Chromanols

Compound Structure:

Synonyms:

4-Chromanol;1481-93-2;Chroman-4-ol;3,4-Dihydro-2H-1-benzopyran-4-ol;4-Hydroxychroman;3,4-dihydro-2H-chromen-4-ol;2H-1-Benzopyran-4-ol, 3,4-dihydro-;MFCD00006849;3'-carboxy-alpha-chromanol;NSC654113

Compound ID:

NMPC-753

PubChem ID:

92890

Molecular Formula:

C9H10O2

Canonical SMILES:

C1COC2=CC=CC=C2C1O

InChIKey:

MGSHXMOLUWTMGP-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	150.17 g/mol
XLogP3-AA	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	150.068079557 g/mol
Monoisotopic Mass	150.068079557 g/mol
Topological Polar Surface Area	29.5Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Garcinia kola

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