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24812-89-3 | Benzoic acid, 3-amino-2,4-dimethyl-, methyl ester
CAS No: 24812-89-3 Catalog No: AG002PIF MDL No:MFCD22494937
Product Description
Catalog Number:
AG002PIF
Chemical Name:
Benzoic acid, 3-amino-2,4-dimethyl-, methyl ester
CAS Number:
24812-89-3
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD22494937
IUPAC Name:
methyl 3-amino-2,4-dimethylbenzoate
InChI:
InChI=1S/C10H13NO2/c1-6-4-5-8(10(12)13-3)7(2)9(6)11/h4-5H,11H2,1-3H3
InChI Key:
VXCDYRLZDFQUCJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1C)N)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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