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7003-56-7 | 2-(chloromethyl)oxirane; formaldehyde; o-cresol
CAS No: 7003-56-7 Catalog No: AG005GBO MDL No:
Product Description
Catalog Number:
AG005GBO
Chemical Name:
2-(chloromethyl)oxirane; formaldehyde; o-cresol
CAS Number:
7003-56-7
Molecular Formula:
C11H15ClO3
Molecular Weight:
230.6880
IUPAC Name:
N-[2-(dodecanoylamino)ethyl]dodecanamide
InChI:
InChI=1S/C26H52N2O2/c1-3-5-7-9-11-13-15-17-19-21-25(29)27-23-24-28-26(30)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)
InChI Key:
HETBCUMLBCUVKC-UHFFFAOYSA-N
SMILES:
Cc1ccccc1O.ClCC1CO1.C=O
NSC Number:
13546
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.403g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.714g/mol
Monoisotopic Mass:
424.403g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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