Home Other Building Blocks 3-Propylbenzoic acid

3-Propylbenzoic acid

CAS No.:
857539-83-4
Catalog Number:
AG003A0H
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
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Product Description
Catalog Number:
AG003A0H
Chemical Name:
3-Propylbenzoic acid
CAS Number:
857539-83-4
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD20644163
IUPAC Name:
3-propylbenzoic acid
InChI:
InChI=1S/C10H12O2/c1-2-4-8-5-3-6-9(7-8)10(11)12/h3,5-7H,2,4H2,1H3,(H,11,12)
InChI Key:
GIFHXKJTAILWRE-UHFFFAOYSA-N
SMILES:
CCCc1cccc(c1)C(=O)O
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties