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1-Propen-1-ol, 1-acetate, (1Z)-

HCID 643772
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Basic information

CAS
3102-47-4
Standard SMILES
C/C=C\OC(C)=O
InChIKey
IKUJAIDSWVXUGG-ARJAWSKDSA-N
Molecular formula
C5H8O2
Average molar mass
100.12 g/mol
Monoisotopic mass
100.05242949

Names & identifiers

Preferred name
1-Propen-1-ol, 1-acetate, (1Z)-
IUPAC
[(Z)-prop-1-enyl] acetate

Names & synonyms

DTXSID0013032653102-47-41-Propen-1-ol, 1-acetate, (1Z)-RefChem:1056992DTXCID401733309(1Z)-prop-1-en-1-yl acetatecis-n-propenyl acetateSCHEMBL1408674SCHEMBL117915401-propen-1-ol, acetate, (1Z)-

Database identifiers

CAS
3102-47-4
PubChem CID
643772
DTXSID
DTXSID001303265
Nikkaji
J2.496.663A

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
7
Formal charge
0
Complexity
84.1

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