Home Other Building Blocks 4-[(prop-2-en-1-yl)carbamoyl]benzoic acid

4-[(prop-2-en-1-yl)carbamoyl]benzoic acid

CAS No.:
1085698-16-3
Catalog Number:
AG01DXAA
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
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Product Description
Catalog Number:
AG01DXAA
Chemical Name:
4-[(prop-2-en-1-yl)carbamoyl]benzoic acid
CAS Number:
1085698-16-3
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD12173470
IUPAC Name:
4-(prop-2-enylcarbamoyl)benzoic acid
InChI:
InChI=1S/C11H11NO3/c1-2-7-12-10(13)8-3-5-9(6-4-8)11(14)15/h2-6H,1,7H2,(H,12,13)(H,14,15)
InChI Key:
PTKITGCCWDTUOG-UHFFFAOYSA-N
SMILES:
C=CCNC(=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
255  
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:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties