Home Other Building Blocks 4-phenylbut-3-ynoic acid

4-phenylbut-3-ynoic acid

CAS No.:
7218-49-7
Catalog Number:
AG01A00K
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
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Product Description
Catalog Number:
AG01A00K
Chemical Name:
4-phenylbut-3-ynoic acid
CAS Number:
7218-49-7
Molecular Formula:
C10H8O2
Molecular Weight:
160.1693
MDL Number:
MFCD03369518
IUPAC Name:
4-phenylbut-3-ynoic acid
InChI:
InChI=1S/C10H8O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2,(H,11,12)
InChI Key:
ADDXPYNQJQNEPZ-UHFFFAOYSA-N
SMILES:
OC(=O)CC#Cc1ccccc1
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.052g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.172g/mol
Monoisotopic Mass:
160.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties