2-(3,5-dimethoxyphenyl)-2-oxoacetaldehyde hydrate

2-(3,5-dimethoxyphenyl)-2-oxoacetaldehyde hydrate

CAS: 93506-72-0

Formula: C10H12O5

SMILES: O.COC1=CC(=CC(OC)=C1)C(=O)C=O

IUPAC: 2-(3,5-dimethoxyphenyl)-2-oxoacetaldehyde hydrate

InChI: InChI=1S/C10H10O4.H2O/c1-13-8-3-7(10(12)6-11)4-9(5-8)14-2;/h3-6H,1-2H3;1H2

Composition: C (56.60%), H (5.70%), O (37.70%)

Molar Mass: 212.201

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.068473486
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	QNSGQYLIAUSUHQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.24
Topological Polar Surface Area	52.6
Polarizability	19.21
Ring Count	1
Rotatable Bond Count	4

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