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141681-03-0 | Butanoic acid, 4-[(1-oxo-2-propen-1-yl)oxy]-
CAS No: 141681-03-0 Catalog No: AG001GVY MDL No:
Product Description
Catalog Number:
AG001GVY
Chemical Name:
Butanoic acid, 4-[(1-oxo-2-propen-1-yl)oxy]-
CAS Number:
141681-03-0
Molecular Formula:
C7H10O4
Molecular Weight:
158.1519
IUPAC Name:
4-prop-2-enoyloxybutanoic acid
InChI:
InChI=1S/C7H10O4/c1-2-7(10)11-5-3-4-6(8)9/h2H,1,3-5H2,(H,8,9)
InChI Key:
HEMYIEDNNZJZSV-UHFFFAOYSA-N
SMILES:
OC(=O)CCCOC(=O)C=C
Properties
Complexity:
162
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:
1
Isotope Atom Count:
0
Molecular Weight:
158.153g/mol
Monoisotopic Mass:
158.058g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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