6-Methoxy-1-naphthoic acid

C12H10O3CAS 36112-61-5202.21 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C12H10O3
Molar mass
202.21 g/mol
Exact mass
202.0630 Da
logP
2.55Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
36112-61-5
SMILES
COC1=CC2=C(C=C1)C(=CC=C2)C(=O)O
InChIKey
WRZAWKSSADRYTA-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O3/c1-15-9-5-6-10-8(7-9)3-2-4-11(10)12(13)14/h2-7H,1H3,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 6-Methoxy-1-naphthoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Methoxyphthalic acid1885-13-861 % similar 6-Hydroxy-1-naphthoic acid2437-17-460 % similar 2-Chloro-4-methoxybenzoic acid21971-21-159 % similar 2-Chloro-5-methoxybenzoic acid6280-89-359 % similar 4-Methoxysalicylic acid2237-36-757 % similar 2,5-Dimethoxybenzoic acid2785-98-057 % similar 2-Amino-4-methoxybenzoic acid4294-95-557 % similar 2,4-Dimethoxybenzoic acid91-52-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-0 2-Naphthoxyacetic acid120-23-0 4-Methoxy-1-naphthalenecarboxylic acid13041-62-8 4,4′-Dihydroxydiphenyl ether1965-09-9 6-Methoxy-2-naphthoic acid2471-70-7 Naphthoxyacetic acid2976-75-2 6-Ethyl-3-formylchromone42059-78-9 5,7-Dimethyl-4-oxo-4H-chromene-3-carbaldehyde62484-76-8

Elsewhere

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