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27171-87-5 | METHYL 2-[(DIMETHYLAMINO)METHYL]BENZOATE
CAS No: 27171-87-5 Catalog No: AG003RM1 MDL No:MFCD13249350
Product Description
Catalog Number:
AG003RM1
Chemical Name:
METHYL 2-[(DIMETHYLAMINO)METHYL]BENZOATE
CAS Number:
27171-87-5
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD13249350
IUPAC Name:
methyl 2-[(dimethylamino)methyl]benzoate
InChI:
InChI=1S/C11H15NO2/c1-12(2)8-9-6-4-5-7-10(9)11(13)14-3/h4-7H,8H2,1-3H3
InChI Key:
CSESFGWHSGKBDU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1CN(C)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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