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102275-68-3 | Propanoic acid, 2-methyl-, 6-methyl-2-naphthalenyl ester
CAS No: 102275-68-3 Catalog No: AG00072M MDL No:
Product Description
Catalog Number:
AG00072M
Chemical Name:
Propanoic acid, 2-methyl-, 6-methyl-2-naphthalenyl ester
CAS Number:
102275-68-3
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
(6-methylnaphthalen-2-yl) 2-methylpropanoate
InChI:
InChI=1S/C15H16O2/c1-10(2)15(16)17-14-7-6-12-8-11(3)4-5-13(12)9-14/h4-10H,1-3H3
InChI Key:
SMNNYSWMWVTDSM-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Oc1ccc2c(c1)ccc(c2)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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