Home Other Building Blocks 1-TERT-BUTOXYCARBONYLAMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID

1-TERT-BUTOXYCARBONYLAMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID

CAS No.:
898404-93-8
Catalog Number:
AG003D29
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
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Product Description
Catalog Number:
AG003D29
Chemical Name:
1-TERT-BUTOXYCARBONYLAMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-1-CARBOXYLIC ACID
CAS Number:
898404-93-8
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD04115523
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
InChI:
InChI=1S/C16H21NO4/c1-15(2,3)21-14(20)17-16(13(18)19)10-6-8-11-7-4-5-9-12(11)16/h4-5,7,9H,6,8,10H2,1-3H3,(H,17,20)(H,18,19)
InChI Key:
YMXQUKSKLXESDO-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCCc2c1cccc2)C(=O)O)OC(C)(C)C
Properties
Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties