5-Borono-1-naphthoic acid

CAT: 0127-OR1071924-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1071924-01Size:100 mg

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CAS Number

216060-11-6

MDL Number

MFCD09837640

Purity

95%

Smiles

O=C(O)C1=C2C=CC=C(B(O)O)C2=CC=C1

Chemical Information

5-Borono-1-naphthoic acid

CAS Number	216060-11-6
PubChem CID	53216713
IUPAC Name	5-borononaphthalene-1-carboxylic acid
Molecular Formula	C11H9BO4
Molecular Weight	216.00
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	269

SMILES

B(C1=C2C=CC=C(C2=CC=C1)C(=O)O)(O)O

InChI

InChI=1S/C11H9BO4/c13-11(14)9-5-1-4-8-7(9)3-2-6-10(8)12(15)16/h1-6,15-16H,(H,13,14)

InChIKey

NBMJISAJLZTPOX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 216060-11-6

CID: 53216713

Formula: C11H9BO4

MW: 216.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.00
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	216.0593889
Monoisotopic Mass	216.0593889
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	269
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes