Home > Compound List > Compound details
62956-64-3 molecular structure
click picture or here to close

2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid

ChemBase ID: 813550
Molecular Formular: C12H14O3
Molecular Mass: 206.23776
Monoisotopic Mass: 206.09429431
SMILES and InChIs

SMILES:
C(C(=O)O)C1CCc2c1cc(cc2)OC
Canonical SMILES:
COc1ccc2c(c1)C(CC2)CC(=O)O
InChI:
InChI=1S/C12H14O3/c1-15-10-5-4-8-2-3-9(6-12(13)14)11(8)7-10/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)
InChIKey:
ALAUISTUIQUUFF-UHFFFAOYSA-N

Cite this record

CBID:813550 http://www.chembase.cn/molecule-813550.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
IUPAC Traditional name
(6-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
Synonyms
2,3-DIHYDRO-6-METHOXY-1H-INDENE-1-ACETIC ACID
CAS Number
62956-64-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35320 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35320 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.3325133  H Acceptors
H Donor LogD (pH = 5.5) 1.040431 
LogD (pH = 7.4) -0.70447856  Log P 2.234606 
Molar Refractivity 56.2174 cm3 Polarizability 21.762342 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle