Structure

3-Methoxy-1-Propanol

CAS
1589-49-7
Catalog Number
ACM1589497
Category
Alcohols
Molecular Weight
90.12
Molecular Formula
C4H10O2

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Specification

Canonical SMILES
COCCCO
Boiling Point
150-152 °C
Hazard Statements
H225-H315-H319-H335
RIDADR
UN 1987C 3 / PGIII
Symbol
GHS02
What is the molecular formula of the compound?

The molecular formula is C4H10O2.

What is the molecular weight of the compound?

The molecular weight is 90.12 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 3-methoxypropan-1-ol.

What is the InChI of the compound?

The InChI is InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3.

What is the InChIKey of the compound?

The InChIKey is JDFDHBSESGTDAL-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is COCCCO.

What is the CAS number of the compound?

The CAS number is 1589-49-7.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 2 hydrogen bond acceptor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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