Basic information
- CAS
37707-78-1- Standard SMILES
COc1cc2ccc(C(=O)O)cc2cc1OC- InChIKey
XMOYHYGPKOVFJI-UHFFFAOYSA-N- Molecular formula
- C13H12O4
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.07355886
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-2-naphthoic acid
- IUPAC
- 6,7-dimethoxynaphthalene-2-carboxylic acid
- English name
- 6,7-Dimethoxy-naphthalene-2-carboxylic acid
- Molecular formula
- C13H12O4
- Molecular weight
- 232.23
Names & synonyms
6,7-Dimethoxy-2-naphthoic acid37707-78-1ST6JFH1YV02-Naphthalenecarboxylic acid, 6,7-dimethoxy-UNII-ST6JFH1YV0NSC 137208NSC-137208DTXSID601911452,3-DIMETHOXY-6-NAPHTHOIC ACID6,7-DIMETHOXY-2-NAPHTHALENECARBOXYLIC ACIDRefChem:103851DTXCID70113636
Show more names
6,7-Dimethoxy-naphthalene-2-carboxylic acid
6,7-dimethoxynaphthalene-2-carboxylic acidNSC137208MLS0029203916,7-Dimethoxy-2-naphthoicacidSCHEMBL4946900CHEMBL1968138XMOYHYGPKOVFJI-UHFFFAOYSA-NMBA70778
Database identifiers
- CAS
37707-78-1- PubChem CID
- 283028
- DTXSID
DTXSID60191145- ChEMBL
CHEMBL1968138- UNII
- ST6JFH1YV0
- EC Number
- 835-202-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- FDA UNII
- 6 JFH1YV0 · ST6JFH1YV0
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
湖南济邦生物科技有限公司+86-13776644403 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
8 records
Compound notes
Loading…