CAS: 79669-90-2
Nom: methyl 11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate
SMILES:
COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2OMolecular Processing
Molecular formula
C16H14O4
Molecular weight
270.28
Exact mass
270.0892
XLogP
2.45
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
72.62
Supplementary Information
InChIKey: NLBXYUUHUFAZDL-UHFFFAOYSA-N
Synonymes
79669-90-2methyl 11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylateMFCD0024342511-HYDROXY-6,11-DIHYDRO-DIBENZO[B,E]OXEPINE-2-CARBOXYLIC ACID METHYL ESTERmethyl 11-hydroxy-6,11-dihydrodibenzo[b,e]oxepine-2-carboxylatemethyl 2-hydroxy-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylateOprea1_562358SCHEMBL7516230NLBXYUUHUFAZDL-UHFFFAOYSA-NAKOS00508039612K-031Methyl 11-hydroxy-6,11-dihydrodibenz[b,e]oxepin-2-carboxylatemethyl 6,11-dihydro-11-hydroxydibenz[b,e]oxepin-2-carboxylatemethyl2-hydroxy-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-5-carboxylate
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