Home Carboxys 1-[methyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

1-[methyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

CAS No.:
1249301-51-6
Catalog Number:
AG01BEBS
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
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Product Description
Catalog Number:
AG01BEBS
Chemical Name:
1-[methyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CAS Number:
1249301-51-6
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD16669536
IUPAC Name:
1-[methyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
InChI:
InChI=1S/C9H15NO3/c1-6(2)10(3)7(11)9(4-5-9)8(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChI Key:
KHUJCPIZXYPAQU-UHFFFAOYSA-N
SMILES:
CC(N(C(=O)C1(CC1)C(=O)O)C)C
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties