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16252-53-2 | 1(2H)-Naphthalenone, 3,4-dihydro-2-(hydroxymethylene)-6-methoxy-
CAS No: 16252-53-2 Catalog No: AG001T8G MDL No:
Product Description
Catalog Number:
AG001T8G
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-2-(hydroxymethylene)-6-methoxy-
CAS Number:
16252-53-2
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
2-(hydroxymethylidene)-6-methoxy-3,4-dihydronaphthalen-1-one
InChI:
InChI=1S/C12H12O3/c1-15-10-4-5-11-8(6-10)2-3-9(7-13)12(11)14/h4-7,13H,2-3H2,1H3
InChI Key:
DLZNDSMSFGMMHU-UHFFFAOYSA-N
SMILES:
OC=C1CCc2c(C1=O)ccc(c2)OC
EC Number:
605-291-3
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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