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ethyl 4-formylbenzoate

ethyl 4-formylbenzoate

CAS: 6287-86-1

Formula: C10H10O3

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

IUPAC: ethyl 4-formylbenzoate

InChI: InChI=1S/C10H10O3/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-7H,2H2,1H3

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 BHYVHYPBRYOMGC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.42
Topological Polar Surface Area 43.37
Polarizability 18.49
Ring Count 1
Rotatable Bond Count 4

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