Home Carboxys 3-{[(tert-butoxy)carbonyl]amino}-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

3-{[(tert-butoxy)carbonyl]amino}-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid

CAS No.:
1866708-64-6
Catalog Number:
AG01EKJD
Molecular Formula:
C15H19NO5
Molecular Weight:
293.3151
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Product Description
Catalog Number:
AG01EKJD
Chemical Name:
3-{[(tert-butoxy)carbonyl]amino}-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid
CAS Number:
1866708-64-6
Molecular Formula:
C15H19NO5
Molecular Weight:
293.3151
MDL Number:
MFCD31629068
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,4-dihydrochromene-3-carboxylic acid
InChI:
InChI=1S/C15H19NO5/c1-14(2,3)21-13(19)16-15(12(17)18)8-10-6-4-5-7-11(10)20-9-15/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChI Key:
YTJPMLGYZLYTAP-UHFFFAOYSA-N
SMILES:
O=C(NC1(COc2c(C1)cccc2)C(=O)O)OC(C)(C)C
Properties
Complexity:
417  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.126g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
293.319g/mol
Monoisotopic Mass:
293.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties