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70994-19-3 | 4-Dodecenoic acid,12-amino-
CAS No: 70994-19-3 Catalog No: AG005F5C MDL No:
Product Description
Catalog Number:
AG005F5C
Chemical Name:
4-Dodecenoic acid,12-amino-
CAS Number:
70994-19-3
Molecular Formula:
C12H23NO2
Molecular Weight:
213.3165
IUPAC Name:
(E)-12-aminododec-4-enoic acid
InChI:
InChI=1S/C12H23NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h4,6H,1-3,5,7-11,13H2,(H,14,15)/b6-4+
InChI Key:
HYAXMGTZOLISRL-GQCTYLIASA-N
SMILES:
NCCCCCCCC=CCCC(=O)O
EC Number:
275-100-2
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
213.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.321g/mol
Monoisotopic Mass:
213.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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