2-(3,4-diethoxyphenyl)-2-oxoacetaldehyde

2-(3,4-diethoxyphenyl)-2-oxoacetaldehyde

CAS: 952-17-0

Formula: C12H14O4

SMILES: CCOC1=C(OCC)C=C(C=C1)C(=O)C=O

IUPAC: 2-(3,4-diethoxyphenyl)-2-oxoacetaldehyde

InChI: InChI=1S/C12H14O4/c1-3-15-11-6-5-9(10(14)8-13)7-12(11)16-4-2/h5-8H,3-4H2,1-2H3

Composition: C (64.85%), H (6.35%), O (28.80%)

Molar Mass: 222.24

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.089208931
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	FQBWYMCPVZDSDB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.74
Topological Polar Surface Area	52.6
Polarizability	22.87
Ring Count	1
Rotatable Bond Count	6

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