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92613-03-1

92613-03-1 | Benzoic acid, 4-(1-aziridinyl)-, methyl ester

CAS No: 92613-03-1 Catalog No: AG006G23 MDL No:

Product Description

Catalog Number:
AG006G23
Chemical Name:
Benzoic acid, 4-(1-aziridinyl)-, methyl ester
CAS Number:
92613-03-1
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
IUPAC Name:
methyl 4-(aziridin-1-yl)benzoate
InChI:
InChI=1S/C10H11NO2/c1-13-10(12)8-2-4-9(5-3-8)11-6-7-11/h2-5H,6-7H2,1H3
InChI Key:
VKULVNLIGDAAEN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)N1CC1

Properties

Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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