Home Other Building Blocks 3-(4-cyclopropylphenyl)prop-2-enoic acid

3-(4-cyclopropylphenyl)prop-2-enoic acid

CAS No.:
545393-80-4
Catalog Number:
AG01C2N8
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
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Product Description
Catalog Number:
AG01C2N8
Chemical Name:
3-(4-cyclopropylphenyl)prop-2-enoic acid
CAS Number:
545393-80-4
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
MDL Number:
MFCD20658755
IUPAC Name:
(E)-3-(4-cyclopropylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C12H12O2/c13-12(14)8-3-9-1-4-10(5-2-9)11-6-7-11/h1-5,8,11H,6-7H2,(H,13,14)/b8-3+
InChI Key:
ZEKSWKQALDVANW-FPYGCLRLSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)C1CC1
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties