methyl 1,3-benzoxazole-4-carboxylate

methyl 1,3-benzoxazole-4-carboxylate

CAS: 128156-54-7

Formula: C9H7NO3

SMILES: COC(=O)C1=C2N=COC2=CC=C1

IUPAC: methyl 1,3-benzoxazole-4-carboxylate

InChI: InChI=1S/C9H7NO3/c1-12-9(11)6-3-2-4-7-8(6)10-5-13-7/h2-5H,1H3

Composition: C (61.02%), H (3.98%), N (7.91%), O (27.09%)

Molar Mass: 177.159

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	177.042593089
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XYHIHNFBMYROIE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.75
Topological Polar Surface Area	52.33
Polarizability	18.26
Ring Count	2
Rotatable Bond Count	2

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