Home Carboxys 1-[benzyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[benzyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid

CAS No.:
299204-33-4
Catalog Number:
AG01DWBE
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
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Product Description
Catalog Number:
AG01DWBE
Chemical Name:
1-[benzyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CAS Number:
299204-33-4
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
MDL Number:
MFCD17025546
IUPAC Name:
1-[benzyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C13H15NO3/c1-14(9-10-5-3-2-4-6-10)11(15)13(7-8-13)12(16)17/h2-6H,7-9H2,1H3,(H,16,17)
InChI Key:
QBXKNSDAALYPNZ-UHFFFAOYSA-N
SMILES:
CN(C(=O)C1(CC1)C(=O)O)Cc1ccccc1
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties