Home Other Building Blocks Benzoic acid, 2-ethyl-3-hydroxy-, methyl ester

Benzoic acid, 2-ethyl-3-hydroxy-, methyl ester

CAS No.:
183108-31-8
Catalog Number:
AG0024DY
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
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Product Description
Catalog Number:
AG0024DY
Chemical Name:
Benzoic acid, 2-ethyl-3-hydroxy-, methyl ester
CAS Number:
183108-31-8
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD22490933
IUPAC Name:
methyl 2-ethyl-3-hydroxybenzoate
InChI:
InChI=1S/C10H12O3/c1-3-7-8(10(12)13-2)5-4-6-9(7)11/h4-6,11H,3H2,1-2H3
InChI Key:
VHTOSWDSMXRKJC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1CC)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