(3E)-4-methoxybut-3-en-2-one

(3E)-4-methoxybut-3-en-2-one

CAS: 51731-17-0

Formula: C5H8O2

SMILES: COC=CC(C)=O

IUPAC: (3E)-4-methoxybut-3-en-2-one

InChI: InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3/b4-3+

Composition: C (59.98%), H (8.05%), O (31.96%)

Molar Mass: 100.117

Atom Count: 15

Heavy Atom Count: 7

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	100.052429498
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VLLHEPHWWIDUSS-ONEGZZNKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	27.57
Topological Polar Surface Area	26.3
Polarizability	10.47
Ring Count	0
Rotatable Bond Count	2

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Shanghai AQ BioPharma Co., Ltd.

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