2,2-Dimethyl-2H-1-benzopyran

HCID 75642
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Basic information

CAS
2513-25-9
Standard SMILES
CC1(C)C=Cc2ccccc2O1
InChIKey
SAXKWTPDZMBKSQ-UHFFFAOYSA-N
Molecular formula
C11H12O
Average molar mass
160.21 g/mol
Monoisotopic mass
160.088815

Names & identifiers

Preferred name
2,2-Dimethyl-2H-1-benzopyran
IUPAC
2,2-dimethylchromene
English name
2,2-Dimethyl-2H-1-benzopyran
Molecular formula
C11H12O
Molecular weight
160.21

Names & synonyms

2,2-Dimethylchromene2513-25-92,2-Dimethyl-2H-chromene2,2-Dimethyl-2H-1-benzopyranUNII-M07GJA13Z5M07GJA13Z5AI3-07610DTXSID701798132,2-DIMETHYL-3-CHROMENE1,2-BENZOPYRAN, 2,2-DIMETHYL-RefChem:81044DTXCID30102304
Show more names
SAXKWTPDZMBKSQ-UHFFFAOYSA-N2H-1-Benzopyran, 2,2-dimethyl-2,2-DimethylbenzopyranMFCD170193532,2-Dimethyl-2H-chromene #FC 1SCHEMBL1040319SCHEMBL1748567

Database identifiers

CAS
2513-25-9
PubChem CID
75642
DTXSID
DTXSID70179813
UNII
M07GJA13Z5
Nikkaji
J112.962G

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
78 · 78-90 °C
Boiling point
246.12 °C · 246.12°C (rough estimate)
Density
0.964 · 0.9640 (rough estimate)
refractive index
1.54 · 1.5400 (estimate)
FDA UNII
7 GJA13Z5 · M07GJA13Z5
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Suppliers1 total

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Related reactions

1 records
New reaction record

Compound notes

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