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24812-88-2 | Benzoic acid, 3-amino-2,4-dimethyl-, methyl ester, hydrochloride (1:1)
CAS No: 24812-88-2 Catalog No: AG002PIG MDL No:MFCD22571629
Product Description
Catalog Number:
AG002PIG
Chemical Name:
Benzoic acid, 3-amino-2,4-dimethyl-, methyl ester, hydrochloride (1:1)
CAS Number:
24812-88-2
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD22571629
IUPAC Name:
methyl 3-amino-2,4-dimethylbenzoate;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c1-6-4-5-8(10(12)13-3)7(2)9(6)11;/h4-5H,11H2,1-3H3;1H
InChI Key:
SDNLBVDRQJCZFR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1C)N)C.Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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