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88950-64-5 | 1-(Boc-Amino)cyclopropanecarboxylic acid
CAS No: 88950-64-5 Catalog No: AG0032NN MDL No:MFCD00083257
Product Description
Catalog Number:
AG0032NN
Chemical Name:
1-(Boc-Amino)cyclopropanecarboxylic acid
CAS Number:
88950-64-5
Molecular Formula:
C9H15NO4
Molecular Weight:
201.2197
MDL Number:
MFCD00083257
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C9H15NO4/c1-8(2,3)14-7(13)10-9(4-5-9)6(11)12/h4-5H2,1-3H3,(H,10,13)(H,11,12)
InChI Key:
DSKCOVBHIFAJRI-UHFFFAOYSA-N
SMILES:
O=C(NC1(CC1)C(=O)O)OC(C)(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.222g/mol
Monoisotopic Mass:
201.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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