CAS 2480-86-6 | Benzenemethanol, 4-hydroxy-3-methoxy-α-methyl- | CAS Number 2480-86-6

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2480-86-6 | Benzenemethanol, 4-hydroxy-3-methoxy-α-methyl-

CAS No: 2480-86-6 Catalog No: AG002PHD MDL No:MFCD00238638

Product Description

Catalog Number:

AG002PHD

Chemical Name:

Benzenemethanol, 4-hydroxy-3-methoxy-α-methyl-

CAS Number:

2480-86-6

Molecular Formula:

C9H12O3

Molecular Weight:

168.1898

MDL Number:

MFCD00238638

IUPAC Name:

4-(1-hydroxyethyl)-2-methoxyphenol

InChI:

InChI=1S/C9H12O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-6,10-11H,1-2H3

InChI Key:

BDRRAMWDUCXAKG-UHFFFAOYSA-N

SMILES:

COc1cc(ccc1O)C(O)C

NSC Number:

47035

Properties

Complexity:

138

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.192g/mol

Monoisotopic Mass:

168.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Decrease of 4-vinylguaiacol during beer aging and formation of apocynol and vanillin in beer.	Journal of agricultural and food chemistry 20081224
Phenols and lignans from Chenopodium album.	Phytochemical analysis : PCA 20060101
Cytotoxic terpenoid and immunosuppressive phenolic glycosides from the root bark of Dictamnus dasycarpus.	Planta medica 20020501