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473269-88-4 molecular structure
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methyl 2-(morpholin-2-yl)acetate

ChemBase ID: 811973
Molecular Formular: C7H13NO3
Molecular Mass: 159.18302
Monoisotopic Mass: 159.08954328
SMILES and InChIs

SMILES:
C(C(=O)OC)C1CNCCO1
Canonical SMILES:
COC(=O)CC1CNCCO1
InChI:
InChI=1S/C7H13NO3/c1-10-7(9)4-6-5-8-2-3-11-6/h6,8H,2-5H2,1H3
InChIKey:
PVCYXJXAUBLSJG-UHFFFAOYSA-N

Cite this record

CBID:811973 http://www.chembase.cn/molecule-811973.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-(morpholin-2-yl)acetate
IUPAC Traditional name
methyl 2-(morpholin-2-yl)acetate
Synonyms
MORPHOLIN-2-YL-ACETIC ACID METHYL ESTER
CAS Number
473269-88-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31642 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31642 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.869718  LogD (pH = 7.4) -1.1408471 
Log P -0.49072176  Molar Refractivity 38.9912 cm3
Polarizability 15.927211 Å3 Polar Surface Area 47.56 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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