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4752-58-3 | 4-[2-(1H-quinolin-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CAS No: 4752-58-3 Catalog No: AG00DY64 MDL No:MFCD01540038
Product Description
Catalog Number:
AG00DY64
Chemical Name:
4-[2-(1H-quinolin-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CAS Number:
4752-58-3
Molecular Formula:
C17H13NO
Molecular Weight:
247.2912
MDL Number:
MFCD01540038
IUPAC Name:
4-[(E)-2-quinolin-2-ylethenyl]phenol
InChI:
InChI=1S/C17H13NO/c19-16-11-6-13(7-12-16)5-9-15-10-8-14-3-1-2-4-17(14)18-15/h1-12,19H/b9-5+
InChI Key:
ZIZCWUNKNLIXMX-WEVVVXLNSA-N
SMILES:
Oc1ccc(cc1)/C=C/c1ccc2c(n1)cccc2
NSC Number:
47971
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
247.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.297g/mol
Monoisotopic Mass:
247.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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