A-Naphthol Benzein (pH Indicator)

CAT: 0459-307915-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0459-307915-01Size:5 g

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CAS Number

145-50-6

Chemical Information

1(4H)-Naphthalenone, 4-[(4-hydroxy-1-naphthalenyl)phenylmethylene]-

CAS Number	145-50-6
PubChem CID	3033966
IUPAC Name	(4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
Molecular Formula	C27H18O2
Molecular Weight	374.4
XLogP	6.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	29
Formal Charge	0
Complexity	668

SMILES

C1=CC=C(C=C1)/C(=C\2/C=CC(=O)C3=CC=CC=C23)/C4=CC=C(C5=CC=CC=C54)O

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+

InChIKey

VDDWRTZCUJCDJM-SOYKGTTHSA-N

Chemical Structure

2D Structure

CAS: 145-50-6

CID: 3033966

Formula: C27H18O2

MW: 374.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	374.4
XLogP3	6.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	374.130679813
Monoisotopic Mass	374.130679813
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	668
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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