Home Other Building Blocks 3-(cyclopropylcarbamoyl)benzoic acid

3-(cyclopropylcarbamoyl)benzoic acid

CAS No.:
852879-04-0
Catalog Number:
AG01B15K
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
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Product Description
Catalog Number:
AG01B15K
Chemical Name:
3-(cyclopropylcarbamoyl)benzoic acid
CAS Number:
852879-04-0
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD12173481
IUPAC Name:
3-(cyclopropylcarbamoyl)benzoic acid
InChI:
InChI=1S/C11H11NO3/c13-10(12-9-4-5-9)7-2-1-3-8(6-7)11(14)15/h1-3,6,9H,4-5H2,(H,12,13)(H,14,15)
InChI Key:
RIYVMGLVUQLYJB-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(=O)O)NC1CC1
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties