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3-[(tert-butoxycarbonyl)amino]naphthalene-2-carboxylic acid

3-[(tert-butoxycarbonyl)amino]naphthalene-2-carboxylic acid

CAS: 887242-59-3

Formula: C16H17NO4

SMILES: CC(C)(C)OC(=O)NC1=CC2=CC=CC=C2C=C1C(O)=O

IUPAC: 3-{[(tert-butoxy)carbonyl]amino}naphthalene-2-carboxylic acid

InChI: InChI=1S/C16H17NO4/c1-16(2,3)21-15(20)17-13-9-11-7-5-4-6-10(11)8-12(13)14(18)19/h4-9H,1-3H3,(H,17,20)(H,18,19)

Composition: C (66.89%), H (5.96%), N (4.88%), O (22.27%)

Molar Mass: 287.315

Atom Count: 38

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 287.115758031
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey PPCLHPCNVVTJAE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.06
Topological Polar Surface Area 75.63
Polarizability 31.25
Ring Count 2
Rotatable Bond Count 4

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