CAS 1589-47-5 | 1-Propanol, 2-methoxy- | CAS Number 1589-47-5

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1589-47-5 | 1-Propanol, 2-methoxy-

CAS No: 1589-47-5 Catalog No: AG001R01 MDL No:MFCD00126948

Product Description

Catalog Number:

AG001R01

Chemical Name:

1-Propanol, 2-methoxy-

CAS Number:

1589-47-5

Molecular Formula:

C4H10O2

Molecular Weight:

90.1210

MDL Number:

MFCD00126948

IUPAC Name:

2-methoxypropan-1-ol

InChI:

InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3

InChI Key:

YTTFFPATQICAQN-UHFFFAOYSA-N

SMILES:

CC(OC)CO

EC Number:

216-455-5

Properties

Complexity:

28.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

90.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

90.122g/mol

Monoisotopic Mass:

90.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Literature

Title	Journal
Acute effects of an exposure to 100 ppm 1-methoxypropanol-2 on the upper airways of human subjects.	Toxicology letters 20130704
Investigations on the subchronic toxicity of 2-methoxypropanol-1(acetate) in rats.	Human & experimental toxicology 20050201
Palladium-catalyzed isobenzofuran generation under neutral conditions via oxidative addition to lactol methyl ether.	Organic letters 20021003