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75871-40-8 | Methyl 3-ethyl-2-hydroxybenzoate
CAS No: 75871-40-8 Catalog No: AG003RS6 MDL No:MFCD23381122
Product Description
Catalog Number:
AG003RS6
Chemical Name:
Methyl 3-ethyl-2-hydroxybenzoate
CAS Number:
75871-40-8
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD23381122
IUPAC Name:
methyl 3-ethyl-2-hydroxybenzoate
InChI:
InChI=1S/C10H12O3/c1-3-7-5-4-6-8(9(7)11)10(12)13-2/h4-6,11H,3H2,1-2H3
InChI Key:
ZFUVIMZJBWFGIS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1O)CC
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:
2.8
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