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1027338-06-2 | Dibenzo[a,e]cycloocten-5-ol, 11,12-didehydro-5,6-dihydro-
CAS No: 1027338-06-2 Catalog No: AG00088V MDL No:MFCD20922195
Product Description
Catalog Number:
AG00088V
Chemical Name:
Dibenzo[a,e]cycloocten-5-ol, 11,12-didehydro-5,6-dihydro-
CAS Number:
1027338-06-2
Molecular Formula:
C16H12O
Molecular Weight:
220.2659
MDL Number:
MFCD20922195
IUPAC Name:
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-ol
InChI:
InChI=1S/C16H12O/c17-16-11-14-7-2-1-5-12(14)9-10-13-6-3-4-8-15(13)16/h1-8,16-17H,11H2
InChI Key:
VEKJQXKBHZVGBK-UHFFFAOYSA-N
SMILES:
OC1Cc2ccccc2C#Cc2c1cccc2
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.271g/mol
Monoisotopic Mass:
220.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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