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89288-43-7 | 2-Naphthalenecarboxylic acid, 3,4-dihydro-5,8-dimethyl-, methyl ester
CAS No: 89288-43-7 Catalog No: AG0040NM MDL No:
Product Description
Catalog Number:
AG0040NM
Chemical Name:
2-Naphthalenecarboxylic acid, 3,4-dihydro-5,8-dimethyl-, methyl ester
CAS Number:
89288-43-7
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
methyl 5,8-dimethyl-3,4-dihydronaphthalene-2-carboxylate
InChI:
InChI=1S/C14H16O2/c1-9-4-5-10(2)13-8-11(14(15)16-3)6-7-12(9)13/h4-5,8H,6-7H2,1-3H3
InChI Key:
VIEYGMDDBDVCOT-UHFFFAOYSA-N
SMILES:
COC(=O)C1=Cc2c(CC1)c(C)ccc2C
Properties
Complexity:
306
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:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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