CAS 6702-50-7 | Methyl 3-hydroxy-4-methoxybenzoate | CAS Number 6702-50-7

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6702-50-7 | Methyl 3-hydroxy-4-methoxybenzoate

CAS No: 6702-50-7 Catalog No: AG003RSE MDL No:MFCD01321262

Product Description

Catalog Number:

AG003RSE

Chemical Name:

Methyl 3-hydroxy-4-methoxybenzoate

CAS Number:

6702-50-7

Molecular Formula:

C9H10O4

Molecular Weight:

182.1733

MDL Number:

MFCD01321262

IUPAC Name:

methyl 3-hydroxy-4-methoxybenzoate

InChI:

InChI=1S/C9H10O4/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5,10H,1-2H3

InChI Key:

QXOXUEFXRSIYSW-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(c(c1)O)OC

Properties

Complexity:

181

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

182.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

182.175g/mol

Monoisotopic Mass:

182.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Synthesis of gefitinib from methyl 3-hydroxy-4-methoxy-benzoate.	Molecules (Basel, Switzerland) 20070328
Withdrawn paper: Li, M.D.; Zheng, Y.G.; Ji, M. Synthesis of gefitinib from methyl 3-hydroxy-4-methoxybenzoate. Molecules 2007,12,673-678.	Molecules (Basel, Switzerland) 20070101
Protective constituents against sepsis in mice from the root cortex of Paeonia suffruticosa.	Archives of pharmacal research 20041101
Tyrosinase inhibitor from black rice bran.	Journal of agricultural and food chemistry 20031119