Home Other Building Blocks 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid

3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid

CAS No.:
1000932-52-4
Catalog Number:
AG019LAK
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
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Product Description
Catalog Number:
AG019LAK
Chemical Name:
3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid
CAS Number:
1000932-52-4
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD09863377
IUPAC Name:
3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C13H13NO3/c15-12(16)8-3-9-1-4-10(5-2-9)13(17)14-11-6-7-11/h1-5,8,11H,6-7H2,(H,14,17)(H,15,16)
InChI Key:
FFXXWFKUBVGRPU-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)C(=O)NC1CC1
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.09g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.251g/mol
Monoisotopic Mass:
231.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.7  
Properties