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(2S)-but-3-ene-1,2-diol

(2S)-but-3-ene-1,2-diol

CAS: 62214-39-5

Formula: C4H8O2

SMILES: OC[C@@H](O)C=C

IUPAC: (2S)-but-3-ene-1,2-diol

InChI: InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2/t4-/m0/s1

Composition: C (54.53%), H (9.15%), O (36.32%)

Molar Mass: 88.106

Atom Count: 14

Heavy Atom Count: 6

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 88.052429498
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ITMIAZBRRZANGB-BYPYZUCNSA-N
Lipinski's Rule of Five 1
Molar Refractivity 23.39
Topological Polar Surface Area 40.46
Polarizability 9.11
Ring Count 0
Rotatable Bond Count 2

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