Home Aminos 2-(cyclopropylamino)-5-methylbenzoic acid

2-(cyclopropylamino)-5-methylbenzoic acid

CAS No.:
1247106-14-4
Catalog Number:
AG01BTRP
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
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Product Description
Catalog Number:
AG01BTRP
Chemical Name:
2-(cyclopropylamino)-5-methylbenzoic acid
CAS Number:
1247106-14-4
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD16783230
IUPAC Name:
2-(cyclopropylamino)-5-methylbenzoic acid
InChI:
InChI=1S/C11H13NO2/c1-7-2-5-10(12-8-3-4-8)9(6-7)11(13)14/h2,5-6,8,12H,3-4H2,1H3,(H,13,14)
InChI Key:
XMNFWFORFDBBNA-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)NC1CC1
Properties
Complexity:
225  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties