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867157-01-5 | Carbamic acid, [(1Z)-2-butyl-1-octenyl](phenylmethyl)-, methyl ester
CAS No: 867157-01-5 Catalog No: AG004T2D MDL No:
Product Description
Catalog Number:
AG004T2D
Chemical Name:
Carbamic acid, [(1Z)-2-butyl-1-octenyl](phenylmethyl)-, methyl ester
CAS Number:
867157-01-5
Molecular Formula:
C21H33NO2
Molecular Weight:
331.4922
IUPAC Name:
methyl N-benzyl-N-(2-butyloct-1-enyl)carbamate
InChI:
InChI=1S/C21H33NO2/c1-4-6-8-10-14-19(13-7-5-2)17-22(21(23)24-3)18-20-15-11-9-12-16-20/h9,11-12,15-17H,4-8,10,13-14,18H2,1-3H3
InChI Key:
GAVZSWALXANEKD-UHFFFAOYSA-N
SMILES:
CCCCCC/C(=C\N(C(=O)OC)Cc1ccccc1)/CCCC
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.251g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.5g/mol
Monoisotopic Mass:
331.251g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.1
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