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

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

CAS No.:
2089650-26-8
Catalog Number:
AG01EL1E
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
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Product Description
Catalog Number:
AG01EL1E
Chemical Name:
1-{[(tert-butoxy)carbonyl]amino}-4-methoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CAS Number:
2089650-26-8
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
MDL Number:
MFCD30829591
IUPAC Name:
4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
InChI:
InChI=1S/C16H21NO5/c1-15(2,3)22-14(20)17-16(13(18)19)9-8-10-11(16)6-5-7-12(10)21-4/h5-7H,8-9H2,1-4H3,(H,17,20)(H,18,19)
InChI Key:
ZUYKNUHAOCTFCM-UHFFFAOYSA-N
SMILES:
COc1cccc2c1CCC2(NC(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
444  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.142g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
307.346g/mol
Monoisotopic Mass:
307.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties