C1COC2=CC=CC=C2C1=O
CAS: 491-37-2
Name: 2,3-dihydrochromen-4-one
SMILES: C1COC2=CC=CC=C2C1=O

Molecular Processing

Molecular formula
C9H8O2
Molecular weight
148.16
Exact mass
148.0524
XLogP
1.65
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
40.88

Supplementary Information

InChIKey: MSTDXOZUKAQDRL-UHFFFAOYSA-N
Synonyme
4-Chromanone491-37-2Chromanone4H-1-Benzopyran-4-one, 2,3-dihydro-2,3-dihydrochromen-4-oneDTXSID3060081RefChem:98630DTXCID1040667CHEBI:38763207-736-3Chroman-4-one2,3-Dihydro-1-benzopyran-4-one2,3-Dihydro-4H-chromen-4-one3,4-dihydro-2H-1-benzopyran-4-oneMFCD000068401341-36-22,3-DIHYDRO-4H-1-BENZOPYRAN-4-ONEIsochromanoneEINECS 207-736-3dihydrochromone4-chromanon4-Chromanone, 97%2H-[1]benzopyran-4-one2H-Chromen-4(3H)-oneSCHEMBL287942,3-Dihydro-4-benzopyranoneSCHEMBL209097SCHEMBL224107CHEMBL453987orb3027288
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