2-methoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl acetate

2-methoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl acetate

CAS: 83071-67-4

Formula: C12H12O4

SMILES: COC1=CC(C=CC=O)=CC=C1OC(C)=O

IUPAC: 2-methoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl acetate

InChI: InChI=1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3+

Composition: C (65.45%), H (5.49%), O (29.06%)

Molar Mass: 220.224

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.073558866
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VEKAJHBFBMWJKI-ONEGZZNKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.73
Topological Polar Surface Area	52.6
Polarizability	22.64
Ring Count	1
Rotatable Bond Count	5

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