CCOC(=O)C(C)C1=CC2=C(C=C1)OC(=CC2=O)C(C)(C)C
名称: ethyl 2-(2-tert-butyl-4-oxochromen-6-yl)propanoate
SMILES: CCOC(=O)C(C)C1=CC2=C(C=C1)OC(=CC2=O)C(C)(C)C

Molecular Processing

Molecular formula
C18H22O4
Molecular weight
302.37
Exact mass
302.1518
XLogP
3.76
TPSA
56.51
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
86.23

Supplementary Information

InChIKey: ZYHDHFQHXMEYOL-UHFFFAOYSA-N
同義語
SCHEMBL11554487ZYHDHFQHXMEYOL-UHFFFAOYSA-NEthyl-2-[2-(1,1-dimethylethyl)-4-oxo-4H-1-benzopyran-6-yl]propionate
出典を見る →
1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→