Home Carboxys 1-Cyclohexene-1-carboxylicacid,4-(aminomethyl)-(9CI)

1-Cyclohexene-1-carboxylicacid,4-(aminomethyl)-(9CI)

CAS No.:
330838-52-3
Catalog Number:
AG00C98J
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
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Product Description
Catalog Number:
AG00C98J
Chemical Name:
1-Cyclohexene-1-carboxylicacid,4-(aminomethyl)-(9CI)
CAS Number:
330838-52-3
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD10001448
IUPAC Name:
4-(aminomethyl)cyclohexene-1-carboxylic acid
InChI:
InChI=1S/C8H13NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h3,6H,1-2,4-5,9H2,(H,10,11)
InChI Key:
MZPZFPYJTSAQPX-UHFFFAOYSA-N
SMILES:
NCC1CCC(=CC1)C(=O)O
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-2  
Properties