AG003JJD

581-71-5 | 3-hydroxynaphthalene-2-carbaldehyde

AG003JJD

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CAS Number	581-71-5
Catalog Number	AG003JJD(AGN-PC-0JOVLB)
Chemical Name	3-hydroxynaphthalene-2-carbaldehyde
IUPAC Name	3-hydroxynaphthalene-2-carbaldehyde
InChI	InChI=1S/C11H8O2/c12-7-10-5-8-3-1-2-4-9(8)6-11(10)13/h1-7,13H
InChI Key	QCUNDLUTTXSPFM-UHFFFAOYSA-N
MDL Number	MFCD00079346
Molecular Formula	C11H8O2
Molecular Weight	172.1800
NSC Number	240729
SMILES	O=CC1=C(O)C=C2C=CC=CC2=C1
Synonyms	3-Hydroxy-2-naphthaldehyde, 581-71-5, 3-hydroxynaphthalene-2-carbaldehyde, 2-naphthalenecarboxaldehyde, 3-hydroxy-, EC-000.1489, NSC240729, 2-hydroxy-3-naphthaldehyde, AC1L7RT9, 3-Naphthol-2-carboxaldehyde, SCHEMBL668600, CHEMBL1899554, CTK5A7954, DTXSID10311255, ZINC1763323, 5892AJ, FCH839184, MFCD00079346, 3-Hydroxynaphthalene-2-carboxaldehyde, AKOS006274387, 2-Naphthalenecarboxaldehyde,3-hydroxy-, NSC-240729, KS-00000B38, NCGC00188285-01, AS-47792, SY028654, DB-072439, FT-0728071, MFCD00079346 (95%), (e)-3-(hydroxymethylene)naphthalen-2(3h)-one, EN300-122706, C11H8O2, CID315482,

Complexity	191
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.052g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.183g/mol
Monoisotopic Mass	172.052g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
Signal Words	danger
UN Code	UN 1759

Certificate of Analysis

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