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1006037-03-1 | Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester
CAS No: 1006037-03-1 Catalog No: AG0002GD MDL No:MFCD11616340
Product Description
Catalog Number:
AG0002GD
Chemical Name:
Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester
CAS Number:
1006037-03-1
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD11616340
IUPAC Name:
methyl 4-(1-aminocyclopropyl)benzoate
InChI:
InChI=1S/C11H13NO2/c1-14-10(13)8-2-4-9(5-3-8)11(12)6-7-11/h2-5H,6-7,12H2,1H3
InChI Key:
JUMQWXLIAYMPHT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C1(N)CC1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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