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146400-26-2 | Cyclopropanecarboxylic acid, 1-amino-2-(hydroxymethyl)-3-phenyl-
CAS No: 146400-26-2 Catalog No: AG001DYO MDL No:
Product Description
Catalog Number:
AG001DYO
Chemical Name:
Cyclopropanecarboxylic acid, 1-amino-2-(hydroxymethyl)-3-phenyl-
CAS Number:
146400-26-2
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
1-amino-2-(hydroxymethyl)-3-phenylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C11H13NO3/c12-11(10(14)15)8(6-13)9(11)7-4-2-1-3-5-7/h1-5,8-9,13H,6,12H2,(H,14,15)
InChI Key:
VWAVIJVMDVMTKV-UHFFFAOYSA-N
SMILES:
OCC1C(C1(N)C(=O)O)c1ccccc1
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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