CCOC(=O)C1CCC2=C(O1)C=C(C=C2)N
名称: ethyl 7-amino-3,4-dihydro-2H-chromene-2-carboxylate
SMILES: CCOC(=O)C1CCC2=C(O1)C=C(C=C2)N

Molecular Processing

Molecular formula
C12H15NO3
Molecular weight
221.26
Exact mass
221.1052
XLogP
1.53
TPSA
61.55
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
60.22

Supplementary Information

InChIKey: XAJQENIVBSZOMM-UHFFFAOYSA-N
同義語
SCHEMBL6631393XAJQENIVBSZOMM-UHFFFAOYSA-NEthyl 7-Amino-2-chromancarboxylateethyl 7-amino -2-chromancarboxylate
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