Home Other Building Blocks 4-(TERT-BUTYL)CINNAMIC ACID

4-(TERT-BUTYL)CINNAMIC ACID

CAS No.:
1208-65-7
Catalog Number:
AG008R3H
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
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Product Description
Catalog Number:
AG008R3H
Chemical Name:
4-(TERT-BUTYL)CINNAMIC ACID
CAS Number:
1208-65-7
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
MDL Number:
MFCD00040719
IUPAC Name:
(E)-3-(4-tert-butylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C13H16O2/c1-13(2,3)11-7-4-10(5-8-11)6-9-12(14)15/h4-9H,1-3H3,(H,14,15)/b9-6+
InChI Key:
QFSPZKLJQZSLQU-RMKNXTFCSA-N
SMILES:
OC(=O)/C=C/c1ccc(cc1)C(C)(C)C
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties