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

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

CAS No.:
141607-09-2
Catalog Number:
AG01DTKF
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
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Product Description
Catalog Number:
AG01DTKF
Chemical Name:
Benzoic acid, 3-hydroxy-2-methyl-, ethyl ester
CAS Number:
141607-09-2
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD18396518
IUPAC Name:
ethyl 3-hydroxy-2-methylbenzoate
InChI:
InChI=1S/C10H12O3/c1-3-13-10(12)8-5-4-6-9(11)7(8)2/h4-6,11H,3H2,1-2H3
InChI Key:
WWTLEVOTRVPTOD-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1O)C(=O)OCC
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