Home Other Building Blocks 3-(4-methoxyphenyl)but-2-enoic acid

3-(4-methoxyphenyl)but-2-enoic acid

CAS No.:
376346-53-1
Catalog Number:
AG019U5R
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
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Product Description
Catalog Number:
AG019U5R
Chemical Name:
3-(4-methoxyphenyl)but-2-enoic acid
CAS Number:
376346-53-1
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD00094743
IUPAC Name:
3-(4-methoxyphenyl)but-2-enoic acid
InChI:
InChI=1S/C11H12O3/c1-8(7-11(12)13)9-3-5-10(14-2)6-4-9/h3-7H,1-2H3,(H,12,13)
InChI Key:
FUINODAYLGQWJL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C(=C/C(=O)O)/C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.5  
Properties