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HS-1793

CAT: 0127-BUP15598-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15598-02Size:10 mg
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CAS Number
927885-00-5
Purity
=98%
Smiles
Oc1ccc(c(O)c1)-c1ccc2cc(O)ccc2c1

Chemical Information

4-(6-Hydroxy-2-naphthyl)-1,3-benzenediol

structure in first source

CAS Number927885-00-5
PubChem CID16215105
IUPAC Name4-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
Molecular FormulaC16H12O3
Molecular Weight252.26
XLogP3.7
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity306
SMILES
C1=CC2=C(C=CC(=C2)O)C=C1C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C16H12O3/c17-13-4-3-10-7-12(2-1-11(10)8-13)15-6-5-14(18)9-16(15)19/h1-9,17-19H
InChIKey
BXZJBSHLEZAMOP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(6-Hydroxy-2-naphthyl)-1,3-benzenediol
CAS: 927885-00-5
CID: 16215105
Formula: C16H12O3
MW: 252.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight252.26
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass252.078644241
Monoisotopic Mass252.078644241
Topological Polar Surface Area60.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes