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methyl 4-formyl-2-methylbenzoate

methyl 4-formyl-2-methylbenzoate

CAS: 74733-23-6

Formula: C10H10O3

SMILES: COC(=O)C1=CC=C(C=O)C=C1C

IUPAC: methyl 4-formyl-2-methylbenzoate

InChI: InChI=1S/C10H10O3/c1-7-5-8(6-11)3-4-9(7)10(12)13-2/h3-6H,1-2H3

Composition: C (67.41%), H (5.66%), O (26.94%)

Molar Mass: 178.187

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 178.062994182
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LHJKZERUIPGPCK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.71
Topological Polar Surface Area 43.37
Polarizability 18.42
Ring Count 1
Rotatable Bond Count 3

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99.91% <7 Days 74733-23-6 $35.53-$303.88$35.53$59.84$176.72$303.88
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