Name: Name:methyl 6-formyl-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate
Brand: Angene
SKU: AG01EMAI
Rating: 90 (10 reviews)

methyl 6-formyl-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate

CAS No.:

2137655-11-7

Catalog Number:

AG01EMAI

Molecular Formula:

C9H13NO3

Molecular Weight:

183.2044

Catalog Number:

AG01EMAI

Chemical Name:

methyl 6-formyl-2,3,4,5-tetrahydro-1H-azepine-1-carboxylate

CAS Number:

2137655-11-7

Molecular Formula:

C9H13NO3

Molecular Weight:

183.2044

MDL Number:

MFCD31559410

IUPAC Name:

methyl 6-formyl-2,3,4,5-tetrahydroazepine-1-carboxylate

InChI:

InChI=1S/C9H13NO3/c1-13-9(12)10-5-3-2-4-8(6-10)7-11/h6-7H,2-5H2,1H3

InChI Key:

WKLPHAYPYPIKGR-UHFFFAOYSA-N

SMILES:

COC(=O)N1CCCCC(=C1)C=O

Complexity:

235

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

183.207g/mol

Monoisotopic Mass:

183.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5