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1225228-89-6 | Propanedioic acid, 2-methyl-2-(1,2,3,4-tetrahydro-6-methoxy-2-naphthalenyl)-, 1-ethyl ester
CAS No: 1225228-89-6 Catalog No: AG0017D9 MDL No:MFCD23135330
Product Description
Catalog Number:
AG0017D9
Chemical Name:
Propanedioic acid, 2-methyl-2-(1,2,3,4-tetrahydro-6-methoxy-2-naphthalenyl)-, 1-ethyl ester
CAS Number:
1225228-89-6
Molecular Formula:
C17H21O5-
Molecular Weight:
305.3456
MDL Number:
MFCD23135330
IUPAC Name:
3-ethoxy-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
InChI:
InChI=1S/C17H22O5/c1-4-22-16(20)17(2,15(18)19)13-7-5-12-10-14(21-3)8-6-11(12)9-13/h6,8,10,13H,4-5,7,9H2,1-3H3,(H,18,19)
InChI Key:
NYKDPNQDSCCMMR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C1CCc2c(C1)ccc(c2)OC)(C(=O)[O-])C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.358g/mol
Monoisotopic Mass:
306.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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