ethyl 2-acetylpent-4-enoate

ethyl 2-acetylpent-4-enoate

CAS: 610-89-9

Formula: C9H14O3

SMILES: CCOC(=O)C(CC=C)C(C)=O

IUPAC: ethyl 2-acetylpent-4-enoate

InChI: InChI=1/C9H14O3/c1-4-6-8(7(3)10)9(11)12-5-2/h4,8H,1,5-6H2,2-3H3

Composition: C (63.51%), H (8.29%), O (28.20%)

Molar Mass: 170.208

Atom Count: 26

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	170.094294311
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	IXKFNTFJUHTDNE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.88
Topological Polar Surface Area	43.37
Polarizability	17.92
Ring Count	0
Rotatable Bond Count	6

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