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188897-69-0 | 2-Propenal, 2-[(formyloxy)methyl]-
CAS No: 188897-69-0 Catalog No: AG002HGO MDL No:
Product Description
Catalog Number:
AG002HGO
Chemical Name:
2-Propenal, 2-[(formyloxy)methyl]-
CAS Number:
188897-69-0
Molecular Formula:
C5H6O3
Molecular Weight:
114.0993
IUPAC Name:
2-formylprop-2-enyl formate
InChI:
InChI=1S/C5H6O3/c1-5(2-6)3-8-4-7/h2,4H,1,3H2
InChI Key:
OGGVUTXXLKULFV-UHFFFAOYSA-N
SMILES:
O=COCC(=C)C=O
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.032g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.1g/mol
Monoisotopic Mass:
114.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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