CAS 122-91-8 | Benzenemethanol, 4-methoxy-, 1-formate | CAS Number 122-91-8

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122-91-8 | Benzenemethanol, 4-methoxy-, 1-formate

CAS No: 122-91-8 Catalog No: AG0016JR MDL No:MFCD00021045

Product Description

Catalog Number:

AG0016JR

Chemical Name:

Benzenemethanol, 4-methoxy-, 1-formate

CAS Number:

122-91-8

Molecular Formula:

C9H10O3

Molecular Weight:

166.1739

MDL Number:

MFCD00021045

IUPAC Name:

(4-methoxyphenyl)methyl formate

InChI:

InChI=1S/C9H10O3/c1-11-9-4-2-8(3-5-9)6-12-7-10/h2-5,7H,6H2,1H3

InChI Key:

XPDORSROGAZEGY-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)COC=O

EC Number:

204-582-9

UNII:

7N0ADO5BXI

NSC Number:

5949

FEMA Number:

2101

Properties

Complexity:

128

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

166.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

166.176g/mol

Monoisotopic Mass:

166.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Fragrance material review on anisyl formate.	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20120901
Chemical modification of lipases with various hydrophobic groups improves their enantioselectivity in hydrolytic reactions.	Biotechnology letters 20030101