Home Aminos Benzoic acid, 4-acetyl-2-amino-, methyl ester (9CI)

Benzoic acid, 4-acetyl-2-amino-, methyl ester (9CI)

CAS No.:
189063-57-8
Catalog Number:
AG00AV9X
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
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Product Description
Catalog Number:
AG00AV9X
Chemical Name:
Benzoic acid, 4-acetyl-2-amino-, methyl ester (9CI)
CAS Number:
189063-57-8
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
methyl 4-acetyl-2-aminobenzoate
InChI:
InChI=1S/C10H11NO3/c1-6(12)7-3-4-8(9(11)5-7)10(13)14-2/h3-5H,11H2,1-2H3
InChI Key:
UHXUFAOTGWYTTA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1N)C(=O)C
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties