1,3-Dimethylnaphthalene

• CAS: 575-41-7
• Catalog Number: ACM575417
• Category: Arenes
• Molecular Weight: 156.22
• Molecular Formula: C12H12
• Synonyms: Naphthalene, 1,3-dimethyl-
• IUPAC Name: 1,3-dimethylnaphthalene
• Canonical SMILES: CC1=CC2=CC=CC=C2C(=C1)C
• InChI Key: QHJMFSMPSZREIF-UHFFFAOYSA-N
• Boiling Point: 263.7ºC at 760 mmHg
• Melting Point: -6--3ºC 0.982 g/mL at 25ºC(lit.)
• Flash Point: 109.4ºC
• Density: 0.982 g/mL at 25ºC(lit.)
• Appearance: COLORLESS LIQUID
• Complexity: 150
• Defined Atom Stereocenter Count: 0
• EC Number: 209-384-6
• Exact Mass: 156.0939
• Formal Charge: 0
• Hazard Statements: H226
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• Monoisotopic Mass: 156.0939
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 0
• Safety Description: 23-24/25
• Symbol: GHS02
• Topological Polar Surface Area: 0 Ų
• WGK Germany: 3
• XLogP3-AA: 4.4

Custom Q&A

What is the molecular formula of 1,3-dimethylnaphthalene?

The molecular formula of 1,3-dimethylnaphthalene is C12H12.

What is the molecular weight of 1,3-dimethylnaphthalene?

The molecular weight of 1,3-dimethylnaphthalene is 156.22 g/mol.

What is the IUPAC name of 1,3-dimethylnaphthalene?

The IUPAC name of 1,3-dimethylnaphthalene is 1,3-dimethylnaphthalene.

What is the InChI key of 1,3-dimethylnaphthalene?

The InChI key of 1,3-dimethylnaphthalene is QHJMFSMPSZREIF-UHFFFAOYSA-N.

What is the CAS number of 1,3-dimethylnaphthalene?

The CAS number of 1,3-dimethylnaphthalene is 575-41-7.

What is the XLogP3 value of 1,3-dimethylnaphthalene?

The XLogP3 value of 1,3-dimethylnaphthalene is 4.4.

How many hydrogen bond donor counts does 1,3-dimethylnaphthalene have?

1,3-dimethylnaphthalene has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 1,3-dimethylnaphthalene have?

1,3-dimethylnaphthalene has 0 hydrogen bond acceptor counts.

How many rotatable bond counts does 1,3-dimethylnaphthalene have?

1,3-dimethylnaphthalene has 0 rotatable bond counts.

What is the topological polar surface area of 1,3-dimethylnaphthalene?

The topological polar surface area of 1,3-dimethylnaphthalene is 0Ų.