4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxylic acid

4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxylic acid

CAS: 261350-47-4

Formula: C8H9NO3

SMILES: OC(=O)C1=C2CCCCC2=NO1

IUPAC: 4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxylic acid

InChI: InChI=1S/C8H9NO3/c10-8(11)7-5-3-1-2-4-6(5)9-12-7/h1-4H2,(H,10,11)

Composition: C (57.48%), H (5.43%), N (8.38%), O (28.71%)

Molar Mass: 167.164

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.058243154
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RZZGDFMRRLFKRP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.69
Topological Polar Surface Area	63.33
Polarizability	15.25
Ring Count	2
Rotatable Bond Count	1

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