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methyl 3-carbamoylbenzoate

methyl 3-carbamoylbenzoate

CAS: 106748-24-7

Formula: C9H9NO3

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

IUPAC: methyl 3-carbamoylbenzoate

InChI: InChI=1S/C9H9NO3/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3,(H2,10,11)

Composition: C (60.33%), H (5.06%), N (7.82%), O (26.79%)

Molar Mass: 179.175

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 179.058243154
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MNDFXDXRMYURMC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.16
Topological Polar Surface Area 69.39
Polarizability 17.62
Ring Count 1
Rotatable Bond Count 3

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