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869-29-4 | 2-Propene-1,1-diol,1,1-diacetate
CAS No: 869-29-4 Catalog No: AG004OE2 MDL No:MFCD00008708
Product Description
Catalog Number:
AG004OE2
Chemical Name:
2-Propene-1,1-diol,1,1-diacetate
CAS Number:
869-29-4
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
MDL Number:
MFCD00008708
IUPAC Name:
1-acetyloxyprop-2-enyl acetate
InChI:
InChI=1S/C7H10O4/c1-4-7(10-5(2)8)11-6(3)9/h4,7H,1H2,2-3H3
InChI Key:
TXECTBGVEUDNSL-UHFFFAOYSA-N
SMILES:
C=CC(OC(=O)C)OC(=O)C
EC Number:
212-789-0
UNII:
5VDZ4FX754
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.058g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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