2-[(tert-butoxycarbonyl)amino]-4,5-dimethoxybenzoic acid

2-[(tert-butoxycarbonyl)amino]-4,5-dimethoxybenzoic acid

CAS: 122744-78-9

Formula: C14H19NO6

SMILES: COC1=CC(NC(=O)OC(C)(C)C)=C(C=C1OC)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-4,5-dimethoxybenzoic acid

InChI: InChI=1S/C14H19NO6/c1-14(2,3)21-13(18)15-9-7-11(20-5)10(19-4)6-8(9)12(16)17/h6-7H,1-5H3,(H,15,18)(H,16,17)

Composition: C (56.56%), H (6.44%), N (4.71%), O (32.29%)

Molar Mass: 297.307

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	297.121237336
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	ZXNOFBMUVBIGOE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.53
Topological Polar Surface Area	94.09
Polarizability	28.9
Ring Count	1
Rotatable Bond Count	6

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Key Organics Ltd

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Struchem co.,ltd

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