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6382-06-5 molecular structure
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pentyl 2-hydroxypropanoate

ChemBase ID: 107801
Molecular Formular: C8H16O3
Molecular Mass: 160.21084
Monoisotopic Mass: 160.10994437
SMILES and InChIs

SMILES:
CCCCCOC(=O)C(C)O
Canonical SMILES:
CCCCCOC(=O)C(O)C
InChI:
InChI=1S/C8H16O3/c1-3-4-5-6-11-8(10)7(2)9/h7,9H,3-6H2,1-2H3
InChIKey:
GXOHBWLPQHTYPF-UHFFFAOYSA-N

Cite this record

CBID:107801 http://www.chembase.cn/molecule-107801.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pentyl 2-hydroxypropanoate
IUPAC Traditional name
amyl lactate
Synonyms
AMYL LACTATE
CAS Number
6382-06-5
PubChem SID
162093532
PubChem CID
101145

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05205074 external link Add to cart Please log in.
Data Source Data ID
PubChem 101145 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.99943  H Acceptors
H Donor LogD (pH = 5.5) 1.4425322 
LogD (pH = 7.4) 1.4425311  Log P 1.4425322 
Molar Refractivity 42.0835 cm3 Polarizability 16.871761 Å3
Polar Surface Area 46.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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