methyl 4-(3-methoxy-3-oxopropyl)benzoate

methyl 4-(3-methoxy-3-oxopropyl)benzoate

CAS: 40912-11-6

Formula: C12H14O4

SMILES: COC(=O)CCC1=CC=C(C=C1)C(=O)OC

IUPAC: methyl 4-(3-methoxy-3-oxopropyl)benzoate

InChI: InChI=1S/C12H14O4/c1-15-11(13)8-5-9-3-6-10(7-4-9)12(14)16-2/h3-4,6-7H,5,8H2,1-2H3

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	2
Hydrogen Bond Donor Count	0
InChIKey	MLKXCCLYRPKSBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.76
Topological Polar Surface Area	52.6
Polarizability	22.9
Ring Count	1
Rotatable Bond Count	6

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