Home Aminos Methyl 4-amino-3-formylbenzoate

Methyl 4-amino-3-formylbenzoate

CAS No.:
841296-15-9
Catalog Number:
AG004SHT
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
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Product Description
Catalog Number:
AG004SHT
Chemical Name:
Methyl 4-amino-3-formylbenzoate
CAS Number:
841296-15-9
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD16660047
IUPAC Name:
methyl 4-amino-3-formylbenzoate
InChI:
InChI=1S/C9H9NO3/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-5H,10H2,1H3
InChI Key:
VNDSSJJSVMYZKF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C=O)N
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties