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84677-06-5 | 1-(Cbz-Amino)Cyclopropanecarboxylic Acid
CAS No: 84677-06-5 Catalog No: AG0032J0 MDL No:MFCD00083285
Product Description
Catalog Number:
AG0032J0
Chemical Name:
1-(Cbz-Amino)Cyclopropanecarboxylic Acid
CAS Number:
84677-06-5
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD00083285
IUPAC Name:
1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C12H13NO4/c14-10(15)12(6-7-12)13-11(16)17-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,14,15)
InChI Key:
KHINKCGJKZSHAJ-UHFFFAOYSA-N
SMILES:
O=C(NC1(CC1)C(=O)O)OCc1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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