CAS: 6742-32-1
이름: 2-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)acetic acid
SMILES:
C1CC(C(=O)C2=CC=CC=C2C1)CC(=O)OMolecular Processing
Molecular formula
C13H14O3
Molecular weight
218.25
Exact mass
218.0943
XLogP
2.3
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
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
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
59.45
Supplementary Information
InChIKey: PYYIEBMODWJEII-UHFFFAOYSA-N
동의어
6742-32-1RefChem:3060866,7,8,9-Tetrahydro-5-oxo-5H-benzocycloheptene-6-acetic acid2-(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)acetic acidMFCD244797032-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)acetic acidNSC 4014692-{5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl}acetic acid5-Oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-acetic Acid2-(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-yl)acetic acid2-[5-Oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]acetic acidNSC401469SCHEMBL467521DTXSID50322527PYYIEBMODWJEII-UHFFFAOYSA-N2-(6-oxo-5-bicyclo[5.4.0]undeca-7,9,11-trienyl)acetic acidAKOS027338464NSC-401469AS-70657SY226869DB-181399W10196(5-Oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)acetic acid2-(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)aceticacid
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