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29093-46-7 | 2(1H)-Naphthalenone, 3,4-dihydro-7-methoxy-1-(2-propen-1-yl)-
CAS No: 29093-46-7 Catalog No: AG002XAQ MDL No:MFCD21364428
Product Description
Catalog Number:
AG002XAQ
Chemical Name:
2(1H)-Naphthalenone, 3,4-dihydro-7-methoxy-1-(2-propen-1-yl)-
CAS Number:
29093-46-7
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
MDL Number:
MFCD21364428
IUPAC Name:
7-methoxy-1-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-one
InChI:
InChI=1S/C14H16O2/c1-3-4-12-13-9-11(16-2)7-5-10(13)6-8-14(12)15/h3,5,7,9,12H,1,4,6,8H2,2H3
InChI Key:
ALHTVPCDRIWPFX-UHFFFAOYSA-N
SMILES:
COc1cc2C(CC=C)C(=O)CCc2cc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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