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Home > Aldehydes > 119188-38-4
119188-38-4 | 3H-1,2-Dioxepin-5-carboxaldehyde, 7-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-4,7-dihydro-3-hydroxy-
CAS No: 119188-38-4 Catalog No: AG000IAC MDL No:MFCD17214880
Product Description
Catalog Number:
AG000IAC
Chemical Name:
3H-1,2-Dioxepin-5-carboxaldehyde, 7-(decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-4,7-dihydro-3-hydroxy-
CAS Number:
119188-38-4
Molecular Formula:
C20H30O4
Molecular Weight:
334.4498
MDL Number:
MFCD17214880
IUPAC Name:
7-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-hydroxy-4,7-dihydro-3H-dioxepine-5-carbaldehyde
InChI:
InChI=1S/C20H30O4/c1-13-6-7-16-19(2,3)8-5-9-20(16,4)18(13)15-10-14(12-21)11-17(22)24-23-15/h10,12,15-18,22H,1,5-9,11H2,2-4H3
InChI Key:
FTQNGEYQJGYGFY-UHFFFAOYSA-N
SMILES:
O=CC1=CC(OOC(C1)O)C1C(=C)CCC2C1(C)CCCC2(C)C
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.214g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.456g/mol
Monoisotopic Mass:
334.214g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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