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1154342-13-8 | Benzoic acid, 4-amino-3-(cyclopropylmethoxy)-, methyl ester
CAS No: 1154342-13-8 Catalog No: AG000FZF MDL No:
Product Description
Catalog Number:
AG000FZF
Chemical Name:
Benzoic acid, 4-amino-3-(cyclopropylmethoxy)-, methyl ester
CAS Number:
1154342-13-8
Molecular Formula:
C12H15NO3
Molecular Weight:
221.2524
IUPAC Name:
methyl 4-amino-3-(cyclopropylmethoxy)benzoate
InChI:
InChI=1S/C12H15NO3/c1-15-12(14)9-4-5-10(13)11(6-9)16-7-8-2-3-8/h4-6,8H,2-3,7,13H2,1H3
InChI Key:
LQRZHIVYZGWFGB-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)OCC1CC1)N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.256g/mol
Monoisotopic Mass:
221.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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