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70347-04-5 | Methyl 4-methoxy-3-methylbenzoate
CAS No: 70347-04-5 Catalog No: AG003RVT MDL No:MFCD06203809
Product Description
Catalog Number:
AG003RVT
Chemical Name:
Methyl 4-methoxy-3-methylbenzoate
CAS Number:
70347-04-5
Molecular Formula:
C10H12O3
Molecular Weight:
180.2005
MDL Number:
MFCD06203809
IUPAC Name:
methyl 4-methoxy-3-methylbenzoate
InChI:
InChI=1S/C10H12O3/c1-7-6-8(10(11)13-3)4-5-9(7)12-2/h4-6H,1-3H3
InChI Key:
NRJGLTXKVDHVPG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C)OC
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.203g/mol
Monoisotopic Mass:
180.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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