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137930-23-5 | Octenoic acid, 1-[(dimethylamino)methyl]-3-oxo-3-propoxypropyl ester (9CI)
CAS No: 137930-23-5 Catalog No: AG00144O MDL No:
Product Description
Catalog Number:
AG00144O
Chemical Name:
Octenoic acid, 1-[(dimethylamino)methyl]-3-oxo-3-propoxypropyl ester (9CI)
CAS Number:
137930-23-5
Molecular Formula:
C17H31NO4
Molecular Weight:
313.4323
IUPAC Name:
[1-(dimethylamino)-4-oxo-4-propoxybutan-2-yl] oct-2-enoate
InChI:
InChI=1S/C17H31NO4/c1-5-7-8-9-10-11-16(19)22-15(14-18(3)4)13-17(20)21-12-6-2/h10-11,15H,5-9,12-14H2,1-4H3
InChI Key:
UJAPKFPPZHCNPR-UHFFFAOYSA-N
SMILES:
CCCCCC=CC(=O)OC(CC(=O)OCCC)CN(C)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.225g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.438g/mol
Monoisotopic Mass:
313.225g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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