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140112-97-6 | Benzoic acid, 5-amino-2,4-dimethyl-, methyl ester
CAS No: 140112-97-6 Catalog No: AG001C1G MDL No:MFCD00230534
Product Description
Catalog Number:
AG001C1G
Chemical Name:
Benzoic acid, 5-amino-2,4-dimethyl-, methyl ester
CAS Number:
140112-97-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00230534
IUPAC Name:
methyl 5-amino-2,4-dimethylbenzoate
InChI:
InChI=1S/C10H13NO2/c1-6-4-7(2)9(11)5-8(6)10(12)13-3/h4-5H,11H2,1-3H3
InChI Key:
UGIWJVRYBRJDGI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(N)c(cc1C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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