methyl 2-formylbenzoate

methyl 2-formylbenzoate

CAS: 4122-56-9

Formula: C9H8O3

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

IUPAC: methyl 2-formylbenzoate

InChI: InChI=1S/C9H8O3/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-6H,1H3

Composition: C (65.85%), H (4.91%), O (29.24%)

Molar Mass: 164.16

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	164.047344118
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YRMODRRGEUGHTF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.67
Topological Polar Surface Area	43.37
Polarizability	16.66
Ring Count	1
Rotatable Bond Count	3

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