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145-50-6 | 1(4H)-Naphthalenone, 4-[(4-hydroxy-1-naphthalenyl)phenylmethylene]-
CAS No: 145-50-6 Catalog No: AG001KFL MDL No:MFCD00078492
Product Description
Catalog Number:
AG001KFL
Chemical Name:
1(4H)-Naphthalenone, 4-[(4-hydroxy-1-naphthalenyl)phenylmethylene]-
CAS Number:
145-50-6
Molecular Formula:
C27H18O2
Molecular Weight:
374.4306
MDL Number:
MFCD00078492
IUPAC Name:
(4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
InChI:
InChI=1S/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H/b27-24+
InChI Key:
VDDWRTZCUJCDJM-SOYKGTTHSA-N
SMILES:
O=C1C=CC(=C(c2ccc(c3c2cccc3)O)c2ccccc2)c2c1cccc2
EC Number:
205-656-3
Properties
Complexity:
668
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
374.131g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
374.439g/mol
Monoisotopic Mass:
374.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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