AG00088V

1027338-06-2 | Dibenzo[a,e]cycloocten-5-ol, 11,12-didehydro-5,6-dihydro-

AG00088V

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CAS Number	1027338-06-2
Catalog Number	AG00088V(AGN-PC-0WCYUF)
Chemical Name	Dibenzo[a,e]cycloocten-5-ol, 11,12-didehydro-5,6-dihydro-
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
MDL Number	MFCD10699137
Molecular Formula	C16H12O
Molecular Weight	220.2659
SMILES	OC1CC2=CC=CC=C2C#CC3=CC=CC=C31
Synonyms	1027338-06-2, 5-Hydroxy-1,2:5,6-dibenzocyclooct-7-yne, 3-Hydroxy-1,2:5,6-dibenzocyclooct-7-yne, 4-dibenzocyclooctynol, SCHEMBL269829, KS-00001AZN, VEKJQXKBHZVGBK-UHFFFAOYSA-N, MFCD20922195, AS-54878, CS-0037644, 5,6-Dihydro-11,12-didehydro-dibenzo[a,e] cycloocten-5-ol, 5,6-Dihydro-11,12-didehydro-dibenzo[a,e]cycloocten-5-ol, 5,6-Dihydro-11,12-didehydrodibenzo[a,e]cycloocten-5-ol, 5,6-Dihydro-11,12-didehydrodibenzo[a,e]cyclooctene-5-ol, Dibenzo[a,e]cycloocten-5-ol, 11,12-didehydro-5,6-dihydro-,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number