CAS: 25742-81-8
이름: ethyl 2-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)acetate
SMILES:
CCOC(=O)CC1CCCC2=CC=CC=C2C1=OMolecular Processing
Molecular formula
C15H18O3
Molecular weight
246.31
Exact mass
246.1256
XLogP
2.78
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
68.45
Supplementary Information
InChIKey: HKEKNXGKHYXBQZ-UHFFFAOYSA-N
동의어
5H-Benzocycloheptene-6-acetic acid, 6,7,8,9-tetrahydro-5-oxo-, ethyl ester25742-81-8SCHEMBL467497HKEKNXGKHYXBQZ-UHFFFAOYSA-Nethyl 2-(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)acetateethyl 2-(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-yl)acetate
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