Name: Name:methyl 4-[(3-methoxy-3-oxopropyl)thio]-3-nitrobenzoate
Brand: Angene
SKU: AG00J6SQ
Rating: 90 (10 reviews)

methyl 4-[(3-methoxy-3-oxopropyl)thio]-3-nitrobenzoate

CAS No.:

300567-24-2

Catalog Number:

AG00J6SQ

Molecular Formula:

C12H13NO6S

Molecular Weight:

299.2997

Catalog Number:

AG00J6SQ

Chemical Name:

methyl 4-[(3-methoxy-3-oxopropyl)thio]-3-nitrobenzoate

CAS Number:

300567-24-2

Molecular Formula:

C12H13NO6S

Molecular Weight:

299.2997

MDL Number:

MFCD00703854

IUPAC Name:

methyl 4-(3-methoxy-3-oxopropyl)sulfanyl-3-nitrobenzoate

InChI:

InChI=1S/C12H13NO6S/c1-18-11(14)5-6-20-10-4-3-8(12(15)19-2)7-9(10)13(16)17/h3-4,7H,5-6H2,1-2H3

InChI Key:

XYRFGRPUSVXKBF-UHFFFAOYSA-N

SMILES:

COC(=O)CCSc1ccc(cc1[N+](=O)[O-])C(=O)OC

Complexity:

369

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

299.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

299.297g/mol

Monoisotopic Mass:

299.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

124A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9