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120-33-2 | Benzoic acid, 3-methyl-, ethyl ester
CAS No: 120-33-2 Catalog No: AG000Q14 MDL No:MFCD00009114
Product Description
Catalog Number:
AG000Q14
Chemical Name:
Benzoic acid, 3-methyl-, ethyl ester
CAS Number:
120-33-2
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD00009114
IUPAC Name:
ethyl 3-methylbenzoate
InChI:
InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChI Key:
WSJNYOVBJSOQST-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)C
EC Number:
204-386-3
NSC Number:
20009
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:
0
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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