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69638-92-2 | Butanoic acid, 1-methylethenyl ester
CAS No: 69638-92-2 Catalog No: AG005JY5 MDL No:
Product Description
Catalog Number:
AG005JY5
Chemical Name:
Butanoic acid, 1-methylethenyl ester
CAS Number:
69638-92-2
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
prop-1-en-2-yl butanoate
InChI:
InChI=1S/C7H12O2/c1-4-5-7(8)9-6(2)3/h2,4-5H2,1,3H3
InChI Key:
PDBWEHKCAUAROT-UHFFFAOYSA-N
SMILES:
CCCC(=O)OC(=C)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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