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891-58-7 | 1a,9b-dihydro-1h-cyclopropa[l]phenanthrene-1-carboxylic acid
CAS No: 891-58-7 Catalog No: AG003WOM MDL No:
Product Description
Catalog Number:
AG003WOM
Chemical Name:
1a,9b-dihydro-1h-cyclopropa[l]phenanthrene-1-carboxylic acid
CAS Number:
891-58-7
Molecular Formula:
C16H12O2
Molecular Weight:
236.2653
IUPAC Name:
1a,9b-dihydro-1H-cyclopropa[l]phenanthrene-1-carboxylic acid
InChI:
InChI=1S/C16H12O2/c17-16(18)15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)15/h1-8,13-15H,(H,17,18)
InChI Key:
QANUWSLNGNIGJC-UHFFFAOYSA-N
SMILES:
OC(=O)C1C2C1c1ccccc1c1c2cccc1
NSC Number:
14731
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.27g/mol
Monoisotopic Mass:
236.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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