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18595-12-5 | Methyl 5-amino-2-methylbenzoate
CAS No: 18595-12-5 Catalog No: AG003RX0 MDL No:MFCD08752568
Product Description
Catalog Number:
AG003RX0
Chemical Name:
Methyl 5-amino-2-methylbenzoate
CAS Number:
18595-12-5
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD08752568
IUPAC Name:
methyl 5-amino-2-methylbenzoate
InChI:
InChI=1S/C9H11NO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,10H2,1-2H3
InChI Key:
JNPZKGOLYSCSEL-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C(=O)OC)N
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.192g/mol
Monoisotopic Mass:
165.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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