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1314987-27-3 | Benzoic acid, 3-(dimethylamino)-4-(formylamino)-, methyl ester
CAS No: 1314987-27-3 Catalog No: AG000WBZ MDL No:MFCD19684087
Product Description
Catalog Number:
AG000WBZ
Chemical Name:
Benzoic acid, 3-(dimethylamino)-4-(formylamino)-, methyl ester
CAS Number:
1314987-27-3
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD19684087
IUPAC Name:
methyl 3-(dimethylamino)-4-formamidobenzoate
InChI:
InChI=1S/C11H14N2O3/c1-13(2)10-6-8(11(15)16-3)4-5-9(10)12-7-14/h4-7H,1-3H3,(H,12,14)
InChI Key:
RDJBWNFNJZBHQJ-UHFFFAOYSA-N
SMILES:
O=CNc1ccc(cc1N(C)C)C(=O)OC
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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