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7H-Benzo[c]fluorene-6-carboxylic acid, 7-oxo- 52905-36-9 98%
Identification and Related Records
【Name】
7-oxo-7H-benzo[c]fluorene-6-carboxylic acid
【Iupac name】
7-oxobenzo[c]fluorene-6-carboxylic acid
【CAS Registry number】
52905-36-9
【Synonyms】
MLS003115864
NSC308809
AC1L739N
NSC-308809
7-oxobenzo[c]fluorene-6-carboxylic acid
NCI60_002640
SMR001831430
52905-36-9
【Molecular Formula】
C18H10O3 (Products with the same molecular formula)
【Molecular Weight】
274.2702
【Inchi】
InChI=1/C18H10O3/c19-17-13-8-4-3-7-12(13)15-11-6-2-1-5-10(11)9-14(16(15)17)18(20)21/h1-9H,(H,20,21)
【Canonical SMILES】
C1=CC=C2C(=C1)C=C(C3=C2C4=CC=CC=C4C3=O)C(=O)O
【MOL File】
52905-36-9.mol
Chemical and Physical Properties
【Density】
1.432g/cm3
【Boiling Point】
519.1°C at 760 mmHg
【Refractive Index】
1.758
【Flash Point】
281.8°C
【Computed Properties】
Molecular Weight:274.2702 [g/mol]
Molecular Formula:C18H10O3
XLogP3-AA:3.8
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:1
Exact Mass:274.062994
MonoIsotopic Mass:274.062994
Topological Polar Surface Area:54.4
Heavy Atom Count:21
Formal Charge:0
Complexity:457
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Anion Count:1
Feature 3D Ring Count:4
Effective Rotor Count:1
Conformer Sampling RMSD:0.6
CID Conformer Count:1
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