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3-methyl-1,2-benzoxazole-5-carboxylic acid

3-methyl-1,2-benzoxazole-5-carboxylic acid

CAS: 478169-74-3

Formula: C9H7NO3

SMILES: CC1=NOC2=CC=C(C=C12)C(O)=O

IUPAC: 3-methyl-1,2-benzoxazole-5-carboxylic acid

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

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 3
Hydrogen Bond Donor Count 1
InChIKey QFCJSANSFSOSQM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.68
Topological Polar Surface Area 63.33
Polarizability 17.93
Ring Count 2
Rotatable Bond Count 1

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