Home > Compound List > Compound details
80792-65-0 molecular structure
click picture or here to close

2-(naphthalen-1-yl)(1-14C)acetic acid

ChemBase ID: 131125
Molecular Formular: C12H10O2
Molecular Mass: 188.19914199
Monoisotopic Mass: 188.07132155
SMILES and InChIs

SMILES:
c1ccc2c(c1)cccc2C[14C](=O)O
Canonical SMILES:
O[14C](=O)Cc1cccc2c1cccc2
InChI:
InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)/i12+2
InChIKey:
PRPINYUDVPFIRX-HVRMQOCCSA-N

Cite this record

CBID:131125 http://www.chembase.cn/molecule-131125.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(naphthalen-1-yl)(1-14C)acetic acid
IUPAC Traditional name
naphthalen-1-yl(14C)acetic acid
Synonyms
1-Naphthaleneacetic-car-boxy-14C acid
1-Naphthylacetic acid-car-boxy-14C
CAS Number
80792-65-0
MDL Number
MFCD00069545
PubChem SID
162225403
24858928
PubChem CID
12313067

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
313718 external link Add to cart Please log in.
Data Source Data ID
PubChem 12313067 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.7483635  H Acceptors
H Donor LogD (pH = 5.5) 1.778723 
LogD (pH = 7.4) 0.0018995868  Log P 2.6004708 
Molar Refractivity 53.8158 cm3 Polarizability 22.053507 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
2910 expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
7 expand Show data source
Risk Statements
20/21/22-34 expand Show data source
Safety Statements
23-26-27-36/37/39-45 expand Show data source
RID/ADR
UN 2910 7 expand Show data source
Storage Temperature
2-8°C expand Show data source
Extent of Labeling
1-15 mCi per mmol expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 313718 external link
包装
screw cap bottle

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