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Home > Aldehydes > 100759-12-4
100759-12-4 | 2-Oxiranecarboxaldehyde, 3-methyl-3-(4,8,12-trimethyltridecyl)-
CAS No: 100759-12-4 Catalog No: AG0002TP MDL No:
Product Description
Catalog Number:
AG0002TP
Chemical Name:
2-Oxiranecarboxaldehyde, 3-methyl-3-(4,8,12-trimethyltridecyl)-
CAS Number:
100759-12-4
Molecular Formula:
C20H38O2
Molecular Weight:
310.5145
IUPAC Name:
3-methyl-3-(4,8,12-trimethyltridecyl)oxirane-2-carbaldehyde
InChI:
InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5)19(15-21)22-20/h15-19H,6-14H2,1-5H3
InChI Key:
AOIAAMJHUQTJKQ-UHFFFAOYSA-N
SMILES:
O=CC1OC1(C)CCCC(CCCC(CCCC(C)C)C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.287g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.522g/mol
Monoisotopic Mass:
310.287g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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