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796848-59-4 | Hexanoic acid, 6-amino-, 2-propenyl ester
CAS No: 796848-59-4 Catalog No: AG005INC MDL No:
Product Description
Catalog Number:
AG005INC
Chemical Name:
Hexanoic acid, 6-amino-, 2-propenyl ester
CAS Number:
796848-59-4
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
prop-2-enyl 6-aminohexanoate
InChI:
InChI=1S/C9H17NO2/c1-2-8-12-9(11)6-4-3-5-7-10/h2H,1,3-8,10H2
InChI Key:
NCEZJZWNVMQDOX-UHFFFAOYSA-N
SMILES:
NCCCCCC(=O)OCC=C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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