Benzopyran

HCID 9211CAS 254-04-6
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Basic information

Standard SMILES
C1=Cc2ccccc2OC1
InChIKey
KYNSBQPICQTCGU-UHFFFAOYSA-N
Molecular formula
C9H8O
Average molar mass
132.16 g/mol
Monoisotopic mass
132.05751488

Overview

2H-chromene is a simplest member of the class of chromene in which the heterocyclic pyran ring has a double bond between positions 3 and 4. It is an organic heterobicyclic compound and a chromene. It is a tautomer of a 4H-chromene.

Names & identifiers

Preferred name
Benzopyran
IUPAC
2H-chromene
English name
2H-chromene
Molecular formula
C9H8O
Molecular weight
132.16

Names & synonyms

BenzopyranBenzopyransRefChem:916951CHEBI:227272H-Chromene254-04-62H-1-BENZOPYRAN1,2-Benzopyran3-Chromenedelta-3-Chromene1,2-ChromeneMFCD01662267
Show more names
7U3W6XRV5UBRN 0109871UNII-7U3W6XRV5Uchrom-3-ene2H-benzo[b]pyranSCHEMBL9208SCHEMBL161795-17-02-00019 (Beilstein Handbook Reference)

Database identifiers

CAS
254-04-6
PubChem CID
9211
DTXSID
DTXSID80180051
ChEBI
CHEBI:35601
UNII
7U3W6XRV5U
Nikkaji
J5.443G

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
25 °C · <25 °C
Boiling point
204.08 °C · 204.08°C (rough estimate)
Density
1.0993 · 1.0993
refractive index
1.5869 · 1.5869
EWG's Food Scores
1 · 1
FDA UNII
7 U3W6XRV5U · 7U3W6XRV5U

Chemistry & industry

Upstream & downstream products

Suppliers9 total

Compound Net Biotechnology Inc.15266686121 · [email protected]
上海群燊医药科技有限公司15316975816 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海晟铱生物科技有限公司021-58957915 17721108391 · [email protected]

Additional notes

DefinitionChEBI: A simplest member of the class of chromene in which the heterocyclic pyran ring has a double bond between positions 3 and 4.

Related reactions

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Linked notes

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