3-chloro-4-hydroxypent-3-en-2-one

3-chloro-4-hydroxypent-3-en-2-one

CAS: 1694-29-7

Formula: C5H7ClO2

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

IUPAC: 3-chloro-4-hydroxypent-3-en-2-one

InChI: InChI=1S/C5H7ClO2/c1-3(7)5(6)4(2)8/h7H,1-2H3

Composition: C (44.63%), H (5.24%), Cl (26.35%), O (23.78%)

Molar Mass: 134.56

Atom Count: 15

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	134.0134572
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XHNDEBXZUXMGLI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.43
Topological Polar Surface Area	37.3
Polarizability	12.31
Ring Count	0
Rotatable Bond Count	1

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