1,1-diethoxy-4-hydroxypent-3-en-2-one

1,1-diethoxy-4-hydroxypent-3-en-2-one

CAS: 124237-06-5

Formula: C9H16O4

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

IUPAC: 1,1-diethoxy-4-hydroxypent-3-en-2-one

InChI: InChI=1S/C9H16O4/c1-4-12-9(13-5-2)8(11)6-7(3)10/h6,9-10H,4-5H2,1-3H3

Composition: C (57.43%), H (8.57%), O (34.00%)

Molar Mass: 188.223

Atom Count: 29

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	188.104858995
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RGJLBPLFUIBUHL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.54
Topological Polar Surface Area	55.76
Polarizability	19.18
Ring Count	0
Rotatable Bond Count	6

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