Home Other Building Blocks 3-Ethoxy-4-methyl-benzoic acid

3-Ethoxy-4-methyl-benzoic acid

CAS No.:
1250606-59-7
Catalog Number:
AG01AI2A
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
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Product Description
Catalog Number:
AG01AI2A
Chemical Name:
3-Ethoxy-4-methyl-benzoic acid
CAS Number:
1250606-59-7
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD14647108
IUPAC Name:
3-ethoxy-4-methylbenzoic acid
InChI:
InChI=1S/C10H12O3/c1-3-13-9-6-8(10(11)12)5-4-7(9)2/h4-6H,3H2,1-2H3,(H,11,12)
InChI Key:
VLHHMGNQUJZGHE-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1C)C(=O)O
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties