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68835-89-2 molecular structure
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propane 1-ethoxyethenyl ethyl propan-2-yl carbonate hydrate

ChemBase ID: 180142
Molecular Formular: C13H29O5
Molecular Mass: 265.36636
Monoisotopic Mass: 265.20149903
SMILES and InChIs

SMILES:
C(=O)(OC(=C)OCC)[O](C(C)C)CC.O.C(C)C
Canonical SMILES:
CCOC(=C)OC(=O)[O](C(C)C)CC.CCC.O
InChI:
InChI=1S/C10H19O4.C3H8.H2O/c1-6-12-9(5)13-10(11)14(7-2)8(3)4;1-3-2;/h8H,5-7H2,1-4H3;3H2,1-2H3;1H2
InChIKey:
TZZLFRRPEIGORF-UHFFFAOYSA-N

Cite this record

CBID:180142 http://www.chembase.cn/molecule-180142.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propane 1-ethoxyethenyl ethyl propan-2-yl carbonate hydrate
IUPAC Traditional name
propane 1-ethoxyethenyl ethyl isopropyl carbonate hydrate
Synonyms
Pyrocarbonicacidamylester
CAS Number
68835-89-2
PubChem SID
164236052
PubChem CID
0

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Chemik CHO0180 external link Add to cart
PubChem 0 external link
Data Source Data ID Price
Chemik
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Data Source Data ID
PubChem 0 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
Molar Refractivity 74.8843 cm3 Polar Surface Area 49.12 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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