Name: Name:(3-Oxopropyl)carbamic acid tert-butyl ester
Brand: Angene
SKU: AG0039AW
Rating: 90 (10 reviews)

(3-Oxopropyl)carbamic acid tert-butyl ester

CAS No.:

58885-60-2

Catalog Number:

AG0039AW

Molecular Formula:

C8H15NO3

Molecular Weight:

173.2096

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Product Description

Catalog Number:

AG0039AW

Chemical Name:

(3-Oxopropyl)carbamic acid tert-butyl ester

CAS Number:

58885-60-2

Molecular Formula:

C8H15NO3

Molecular Weight:

173.2096

MDL Number:

MFCD08059952

IUPAC Name:

tert-butyl N-(3-oxopropyl)carbamate

InChI:

InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h6H,4-5H2,1-3H3,(H,9,11)

InChI Key:

MLDSDVASYUUDLT-UHFFFAOYSA-N

SMILES:

O=CCCNC(=O)OC(C)(C)C

Properties

Complexity:

160

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

173.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

173.212g/mol

Monoisotopic Mass:

173.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Total synthesis and NMR investigations of cylindramide.	Chemistry (Weinheim an der Bergstrasse, Germany) 20060308

Properties