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1272667-74-9 | Carbamic acid, N-(cis-3-formylcyclobutyl)-, phenylmethyl ester
CAS No: 1272667-74-9 Catalog No: AG000WTG MDL No:
Product Description
Catalog Number:
AG000WTG
Chemical Name:
Carbamic acid, N-(cis-3-formylcyclobutyl)-, phenylmethyl ester
CAS Number:
1272667-74-9
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
benzyl N-(3-formylcyclobutyl)carbamate
InChI:
InChI=1S/C13H15NO3/c15-8-11-6-12(7-11)14-13(16)17-9-10-4-2-1-3-5-10/h1-5,8,11-12H,6-7,9H2,(H,14,16)
InChI Key:
RQWBKKRISWZEQS-UHFFFAOYSA-N
SMILES:
O=C[C@@H]1C[C@@H](C1)NC(=O)OCc1ccccc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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